data_2cri_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 2cri _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 ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 tp -107.5 -33.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.61 125.24 35.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.34 104.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.5 mp -69.68 148.1 49.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.8 m-20 -142.32 119.58 7.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 54.4 Cg_endo -69.72 137.22 42.61 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.36 0.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.72 21.9 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.377 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 m -76.56 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -142.96 147.71 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 tp -96.44 107.11 19.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.48 154.27 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -129.38 117.82 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 117.3 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.29 0.27 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -177.25 14.15 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.364 0.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 20.8 m-85 -103.9 -17.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -83.06 9.7 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -149.84 168.05 24.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.35 130.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 t -103.77 160.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 m -139.89 111.67 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 m -126.97 122.48 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.63 128.74 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 37' ' ' LEU . 1.6 tt -108.15 113.95 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -85.02 131.81 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 25.9 mt -123.58 105.41 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -87.51 144.74 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -123.92 98.83 38.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.26 24.06 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -62.89 167.38 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -112.77 26.47 10.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 4.5 ptp180 -141.8 148.26 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.36 147.51 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -146.26 133.52 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -93.84 140.44 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -128.48 135.45 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -116.65 108.21 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 t -76.31 118.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -138.59 128.63 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -127.15 165.88 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -78.57 -13.12 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.72 66.41 64.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.0 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -89.13 -31.17 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -108.63 24.73 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -143.13 131.62 22.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -122.78 94.09 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' CG1' ' A' ' 76' ' ' VAL . 90.5 t -94.76 132.77 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 26.5 ttt85 -153.32 123.22 3.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.77 147.4 84.59 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.331 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.98 -3.93 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 96.0 p -172.84 173.64 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.0 27.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.0 mt -115.65 134.17 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.4 108.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.71 151.73 0.31 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.74 122.59 9.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.383 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 39.68 29.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.1 m -145.42 165.49 28.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.04 138.54 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.1 t -114.84 140.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.7 m -107.92 101.68 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CG1' HG11 ' A' ' 61' ' ' VAL . 84.2 t -87.38 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.8 m -95.58 110.57 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.5 t -109.51 92.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.6 mtm -84.03 130.34 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -103.48 117.97 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.64 143.65 86.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 119.76 6.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.18 112.64 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtm -111.0 119.43 39.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.55 126.57 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.73 140.26 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.0 p -142.22 139.23 31.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.555 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -157.06 137.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -52.37 156.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.3 141.56 23.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.1 22.53 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.59 29.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 23.9 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 tp -47.51 97.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.2 m -111.7 -57.67 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -102.33 115.38 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 73.1 mmm -68.39 -50.0 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.34 -29.35 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.29 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.79 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.555 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 82.3 m95 -53.29 -30.79 40.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -72.69 -55.57 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.97 -37.19 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.33 130.44 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -89.63 153.33 47.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.07 -10.96 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -114.75 -26.57 7.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.69 125.52 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -94.52 133.57 37.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.6 168.89 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -139.81 135.05 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 127' ' ' ARG . 5.6 tt -127.93 149.86 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.467 ' N ' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -119.57 136.99 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 91.1 m -93.91 119.31 32.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.42 123.36 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 4.4 m-85 -89.77 114.1 25.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -105.71 167.55 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.542 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 5.7 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 15' ' ' LEU . 8.1 tp -68.76 -39.34 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' ' 14' ' ' ILE . 66.1 mt -82.61 121.96 27.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.68 98.73 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.8 mp -64.82 160.93 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -152.92 118.18 2.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.62 39.67 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.365 0.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.12 25.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.8 m -77.99 -75.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.92 148.5 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -89.03 92.53 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.94 148.58 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -124.19 121.3 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -79.58 113.76 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.25 -161.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.16 33.64 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 0.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 64.2 m-85 -101.35 4.48 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -84.38 13.75 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -163.06 164.37 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.04 125.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.3 t -105.61 157.81 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 m -128.52 124.11 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -132.79 123.8 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 5.4 p-10 -90.8 132.98 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD21 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -106.18 103.68 13.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.56 129.42 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 15.0 mt -122.91 107.14 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 41' ' ' ASN . 1.3 tm0? -88.6 146.38 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 36.3 t-20 -126.35 98.8 31.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -19.54 35.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -75.44 165.32 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -107.44 14.46 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -128.53 133.93 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -42.55 137.76 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' ILE . 62.6 m -81.45 137.42 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.539 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.5 p90 -134.66 133.42 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 24.4 mttm -113.22 119.45 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.42 123.66 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -157.42 121.93 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 3.0 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -71.37 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.41 67.15 2.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.76 27.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -63.41 -28.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HD2' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -109.77 0.98 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD2' ' HD2' ' A' ' 58' ' ' ARG . 6.5 m-85 -119.37 131.34 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -123.16 95.98 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' CG1' ' A' ' 76' ' ' VAL . 92.5 t -99.26 128.44 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 51.4 ttt180 -146.48 123.92 6.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 149.18 88.25 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.303 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -77.27 -13.62 59.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -168.48 161.56 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.85 -154.96 25.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 68' ' ' ILE . 38.1 mt -132.32 137.83 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 111.095 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 49' ' ' PHE . 66.2 mt -100.99 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' ILE . 29.4 m-20 -36.9 149.86 0.16 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 113.78 3.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.69 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -140.62 -179.45 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.457 ' CG1' ' HG2' ' A' ' 40' ' ' GLN . 18.6 mt -130.11 135.92 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.96 135.11 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 25.1 m -109.61 101.35 10.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.457 ' CG1' HG13 ' A' ' 61' ' ' VAL . 60.3 t -83.34 151.22 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 m -99.1 104.42 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.76 93.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.98 130.34 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -103.56 111.57 24.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 4.4 mm-40 -58.37 154.15 34.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 7.7 t80 -129.86 124.08 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.12 130.97 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.45 120.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -101.91 148.81 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 p -150.21 140.42 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.43 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -158.07 151.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' N ' ' CG1' ' A' ' 100' ' ' ILE . 40.8 m-85 -68.03 143.98 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.2 139.57 21.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.29 46.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -83.47 21.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.52 117.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -106.93 -61.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -123.3 111.99 17.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 49.9 mtp -47.45 -38.24 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.63 -47.2 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.33 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.57 -59.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.6 m95 -49.72 -41.32 43.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.67 -55.5 26.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.56 -34.77 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.34 133.09 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -93.22 155.76 40.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.67 19.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -97.33 -9.35 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.43 -23.07 9.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 137.16 44.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.3 mpp? -108.46 142.06 39.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -122.14 170.79 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -141.81 123.61 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -87.86 111.22 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 127' ' ' ARG . 7.0 tt -123.86 140.67 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.405 ' N ' HD21 ' A' ' 126' ' ' LEU . 34.5 ttm-85 -115.82 117.23 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.45 135.2 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.17 125.74 66.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 52.2 m-85 -89.29 107.96 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.547 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 8.0 mt-10 -101.12 165.59 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 29' ' ' PHE . 33.5 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -74.59 -37.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 41' ' ' ASN . 72.5 mt -89.95 131.03 36.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -86.04 107.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.6 mp -72.69 157.64 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.13 118.25 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.77 136.73 40.27 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.308 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -24.07 30.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -82.73 -76.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 14.9 m-20 -144.17 152.97 41.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' CB ' HD22 ' A' ' 126' ' ' LEU . 27.0 tp -94.3 112.43 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -92.32 139.27 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 80' ' ' LEU . 29.6 m-85 -113.87 120.69 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.78 120.41 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.85 -158.5 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 158.64 90.71 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.299 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 21.7 m-85 -92.13 30.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -107.98 0.54 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -149.72 178.78 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.28 118.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -96.63 147.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -124.47 113.23 17.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -118.97 123.99 45.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 3.3 m120 -92.85 131.51 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 37' ' ' LEU . 1.3 tt -111.12 110.67 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -79.69 133.38 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.2 mt -125.93 105.93 9.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.65 155.7 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 30.6 t-20 -134.38 98.81 13.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -34.32 14.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 p -62.73 155.67 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.71 25.0 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.2 ptp180 -138.73 143.29 39.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -45.54 150.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.7 t -146.21 121.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -83.57 132.02 34.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 68' ' ' ILE . 30.3 p90 -128.2 146.91 50.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 18.9 mtpt -133.2 123.99 26.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.46 120.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.64 120.63 24.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -136.01 144.64 45.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.3 p -65.45 -6.92 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.43 82.39 1.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -41.7 4.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -94.61 -43.39 8.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -62.18 -35.62 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 130' ' ' PHE . 10.9 m-85 -119.87 125.71 49.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.86 112.2 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 76' ' ' VAL . 81.8 t -108.69 129.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -148.07 123.94 5.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.71 153.02 92.71 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.351 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.98 -7.69 59.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -171.55 165.16 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.67 -169.87 35.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 68' ' ' ILE . 38.1 mt -117.46 138.52 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.506 HG13 ' CE2' ' A' ' 49' ' ' PHE . 32.5 mt -101.92 113.18 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.04 145.26 9.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.71 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 27.2 29.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.9 m -137.82 168.39 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.4 134.09 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.22 132.3 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 4.2 m -105.39 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG1' HG11 ' A' ' 61' ' ' VAL . 85.8 t -83.55 143.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -91.92 109.32 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 t -109.47 94.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -82.43 135.46 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 1.2 tm? -121.26 112.83 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.38 144.13 94.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.4 47.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.244 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HE2' ' CE ' ' A' ' 125' ' ' LYS . 13.2 ttmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -149.51 106.55 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.57 156.09 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 98' ' ' GLN . 61.7 t -137.62 141.01 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 97' ' ' VAL . 15.0 tt0 -114.68 146.07 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.4 p -148.45 117.74 6.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 5.0 tt -133.83 141.49 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -56.83 149.55 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.81 138.94 24.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 161.28 46.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -11.91 31.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -126.25 27.04 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -50.52 99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.8 m -93.94 -56.66 2.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -126.81 130.13 49.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.5 mmm -47.36 -51.94 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.08 -41.41 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.05 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.38 -58.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 88.2 m95 -58.93 -34.46 71.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.47 -55.52 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.49 -32.6 74.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.39 130.56 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -91.84 153.67 43.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.06 22.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -97.44 -4.41 38.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.44 -19.19 6.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.32 121.03 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -89.79 125.94 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.23 151.26 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -134.71 112.84 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.452 ' CE ' ' HE2' ' A' ' 94' ' ' LYS . 15.8 tptt -83.09 109.71 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 127' ' ' ARG . 6.6 tt -113.62 134.64 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.427 ' C ' HD23 ' A' ' 126' ' ' LEU . 38.2 ttm180 -99.71 137.84 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.18 126.85 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.31 112.45 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 22.3 m-85 -86.19 104.62 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.573 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 64.7 mt-10 -97.18 167.21 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.4 mmm . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.784 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 tp -76.44 -30.4 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -84.65 130.31 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.0 t -84.59 99.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.5 158.89 28.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.46 118.45 2.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.4 Cg_endo -69.81 137.17 42.56 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.342 0.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 p -80.58 -74.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 7.5 m-20 -144.03 149.39 36.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.529 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 17.6 tp -93.9 109.48 21.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.8 150.98 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 13.6 m-85 -124.37 113.14 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.19 15.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.98 -159.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.77 83.49 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.39 0.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 20.6 m-85 -87.27 -12.97 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -58.61 -29.99 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.97 168.57 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 2.8 p -66.23 122.64 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.28 148.61 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -115.9 111.32 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -112.01 134.36 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -107.87 122.96 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -101.99 111.52 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' N ' HD23 ' A' ' 37' ' ' LEU . 27.9 mttp -82.4 138.5 34.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -131.42 103.62 6.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -86.65 158.67 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.34 99.05 14.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -22.13 32.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 p -71.57 -179.62 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.25 27.77 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HD3' ' CD1' ' A' ' 101' ' ' PHE . 3.1 ptm85 -143.05 135.16 27.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -39.87 135.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -132.5 122.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 98.0 m -81.33 133.36 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 66' ' ' GLY . 25.7 p90 -130.58 148.12 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 16.0 mttm -131.08 142.08 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -105.19 123.13 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -143.18 130.32 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -141.05 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 p -70.17 -6.34 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.85 81.87 7.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.83 17.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.9 -55.18 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -53.4 -48.85 68.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -99.28 127.12 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -121.87 101.77 7.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.09 129.73 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 42.3 ttp180 -145.94 122.61 5.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.4 Cg_endo -69.72 157.14 92.26 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.354 -0.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -87.65 -5.16 58.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p -172.02 147.48 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 177.14 -175.32 47.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.18 135.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.44 HG12 ' CG2' ' A' ' 74' ' ' VAL . 67.9 mt -99.76 116.99 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.09 146.44 8.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.97 2.44 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.63 43.68 4.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.4 m -154.74 -176.97 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 74' ' ' VAL . 19.8 mt -131.07 139.64 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 t -113.5 139.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -115.76 101.66 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.31 137.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -86.36 106.75 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -100.66 101.83 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.1 mtm -83.22 134.8 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -118.9 114.1 22.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.473 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.2 mp0 -68.83 141.62 92.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.39 8.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.2 tttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.49 133.66 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.0 mtm -129.4 114.57 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -112.37 123.15 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.61 142.18 33.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.2 p -142.89 141.57 31.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.6 tt -154.0 146.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CD1' ' HD3' ' A' ' 45' ' ' ARG . 72.5 m-85 -63.97 136.03 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.4 138.55 20.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.87 44.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.03 30.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -115.67 49.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 tt -77.87 109.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -102.28 -65.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -87.88 108.99 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.0 tpt -59.74 -57.4 13.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.75 -51.29 61.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.97 -49.05 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.3 t -50.08 -56.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 82.7 m95 -57.32 -39.96 76.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -59.89 -53.05 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -64.53 -36.63 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.05 120.78 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -84.09 155.06 64.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 -17.68 25.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -114.86 -6.84 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.3 mt -86.57 119.6 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -89.64 156.88 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -146.09 162.42 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.9 t -134.91 121.54 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -84.15 107.58 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.9 tt -128.57 133.83 48.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -102.87 136.56 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.01 115.73 26.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 51.2 t -95.35 132.22 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.2 m-85 -101.53 107.38 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -110.82 151.63 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.543 0.687 . . . . 0.0 110.859 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.775 0.321 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.551 HG12 ' CE1' ' A' ' 101' ' ' PHE . 11.4 tp -80.18 -20.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -115.42 114.26 24.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m -89.37 143.94 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.8 mp -105.75 161.1 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.69 117.48 4.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.47 43.99 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.309 -0.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -36.18 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.6 m -67.06 -76.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 152.26 40.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 tp -96.27 106.28 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.58 155.43 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.528 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 35.3 m-85 -128.89 121.48 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -80.74 122.4 27.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.58 -162.46 11.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.83 24.19 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.342 0.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 19.6 m-85 -103.67 14.76 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -76.68 -22.65 53.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -130.63 177.38 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.63 121.0 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.62 139.55 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -111.59 112.2 23.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.528 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 5.5 m -106.81 140.08 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.22 120.47 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -108.17 108.71 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.33 141.74 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 26.6 mt -131.87 104.97 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 40.5 tt0 -89.15 149.76 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.58 98.9 33.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.94 37.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.456 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 88.9 p -72.52 -176.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -126.35 15.85 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -137.58 149.27 46.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -50.37 144.55 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.33 121.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.0 m -74.03 135.64 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.57 129.77 31.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 17.4 mttm -115.68 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.26 109.3 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -131.27 126.71 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -129.81 149.53 51.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -53.03 -20.41 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.58 79.89 1.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.571 0.7 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -35.01 13.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -88.31 -54.01 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -51.56 -39.1 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 4.5 m-85 -110.99 143.77 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.26 102.98 7.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 56.2 t -91.42 125.76 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -145.23 116.13 5.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.24 84.55 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.368 -0.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m120 -90.17 -16.36 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -170.57 156.04 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.66 -149.14 11.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 68' ' ' ILE . 86.9 mt -133.68 140.33 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' N ' HG21 ' A' ' 67' ' ' ILE . 65.8 mt -103.96 116.85 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.53 147.95 2.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.25 33.28 20.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.6 m -141.57 157.06 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -108.11 130.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.1 132.55 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 m -103.15 120.98 41.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.25 137.6 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -90.37 96.33 10.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.04 98.14 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -79.74 148.15 31.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.543 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -131.41 111.48 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.403 ' N ' HD21 ' A' ' 80' ' ' LEU . 1.5 mp0 -65.8 145.74 99.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 114.79 3.82 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -145.04 122.8 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.65 145.45 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.78 134.69 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -102.56 147.78 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 p -150.96 128.72 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.516 HG22 ' CH2' ' A' ' 113' ' ' TRP . 3.1 tt -150.18 144.85 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 14' ' ' ILE . 96.5 m-85 -57.63 152.32 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.3 136.09 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.21 22.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -29.3 24.16 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -117.75 65.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 tt -92.42 98.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -89.33 -54.39 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.82 117.3 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 45.2 mtp -66.42 -46.42 76.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.32 -38.39 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.97 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -52.39 -56.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.516 ' CH2' HG22 ' A' ' 100' ' ' ILE . 99.3 m95 -54.97 -37.56 66.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.97 -52.42 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.96 -33.86 76.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.34 135.34 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -95.61 153.23 39.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.84 -18.33 35.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -113.55 -18.32 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.38 127.37 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.03 123.16 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.39 165.43 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -136.45 123.19 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -84.4 116.86 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.8 tt -137.66 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -110.97 131.05 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.5 m -74.41 117.43 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.39 117.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.4 m-85 -88.29 113.26 23.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -103.02 159.77 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.2 mtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tp -96.68 -25.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.64 129.19 44.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.9 t -94.85 104.6 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.94 152.89 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.22 117.99 6.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 137.82 46.05 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.34 0.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -35.58 12.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -70.23 -75.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.98 151.8 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 41.8 tp -89.63 117.84 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -94.18 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 38.7 m-85 -114.43 124.76 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -84.19 122.63 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.61 -162.03 10.9 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -174.5 9.56 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.34 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 21.4 m-85 -110.63 2.5 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -74.37 -4.9 39.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.68 166.09 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -51.21 131.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.53 158.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -133.64 119.98 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.498 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 93.1 m -129.63 120.6 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.03 130.84 37.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -110.05 112.06 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' N ' HD23 ' A' ' 37' ' ' LEU . 50.4 mttt -82.16 136.86 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.88 103.95 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 15.1 tt0 -89.31 152.19 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.413 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 42.8 t30 -130.57 98.82 19.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.05 31.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 p -61.89 -177.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -123.75 14.16 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 3.6 ptp180 -135.85 152.89 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.11 150.08 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -147.35 133.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 m -88.25 149.1 24.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -145.36 141.89 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HE2' ' CD2' ' A' ' 113' ' ' TRP . 29.1 mtmt -130.7 119.17 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.9 107.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -115.64 128.18 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 t -139.34 160.37 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.9 p -73.19 -2.56 22.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.01 85.74 24.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -94.65 -48.07 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -47.32 -39.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.489 ' CZ ' ' HG ' ' A' ' 80' ' ' LEU . 4.8 m-85 -107.42 145.75 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.45 91.69 3.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -98.74 133.36 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 77.4 mtt180 -154.38 122.25 2.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.653 0.739 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.2 Cg_endo -69.74 164.18 79.86 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.38 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -106.18 -7.13 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 p -169.74 146.99 3.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.42 17.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 68' ' ' ILE . 39.1 mt -131.77 142.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 ' N ' HG21 ' A' ' 67' ' ' ILE . 61.4 mt -110.7 117.09 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.51 152.83 11.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.71 126.12 12.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.88 22.39 69.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -127.85 172.76 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 74' ' ' VAL . 18.3 mt -131.72 135.02 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' N ' HG22 ' A' ' 73' ' ' ILE . 23.5 t -111.51 137.91 42.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -108.01 107.32 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.81 150.51 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.0 m -102.76 96.19 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 t -95.9 96.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.4 mtm -93.02 135.32 34.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -114.84 109.93 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.33 156.71 20.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 118.7 5.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.63 116.95 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -117.33 144.89 44.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.91 123.97 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -100.17 138.04 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.2 p -142.32 140.45 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.517 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 2.5 tt -154.35 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -57.83 149.91 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.72 136.13 23.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.75 18.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.96 31.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ILE . 7.8 t-20 -96.8 -57.9 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.8 tt 34.44 52.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -43.41 -57.15 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 16.0 m-20 -113.07 129.07 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mtp -69.39 -52.84 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -54.24 -53.55 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -46.68 -44.72 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 108' ' ' ASP . 17.1 t -50.58 -54.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CZ3' HG21 ' A' ' 100' ' ' ILE . 98.4 m95 -56.77 -41.82 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -59.81 -54.32 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.84 -33.99 76.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 130.25 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -89.38 153.95 48.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.1 9.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -95.98 -20.83 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -106.59 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.94 135.48 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.7 132.22 48.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 159.37 27.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -134.67 123.3 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.1 113.21 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 tt -127.89 141.38 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -111.79 126.06 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 28.1 m -76.18 122.53 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.3 t -102.61 115.99 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 7.2 m-85 -89.65 107.06 18.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.48 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.516 ' SD ' ' CD2' ' A' ' 29' ' ' PHE . 70.8 mmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 43' ' ' SER . 5.2 tp -46.69 -40.86 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 9.7 mt -84.11 149.11 26.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.4 t -109.41 105.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -77.82 151.63 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -139.54 118.24 8.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.77 137.28 43.03 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.3 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -77.64 -75.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 8.2 p-10 -143.96 152.11 40.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' CZ ' ' A' ' 25' ' ' PHE . 24.7 tp -91.68 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -95.15 125.49 39.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 8.8 m-85 -102.84 140.34 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -104.51 115.97 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.59 -162.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.9 91.71 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.325 0.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -93.32 32.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.0 p -99.69 -23.03 15.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -130.4 175.61 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -56.38 123.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.7 135.47 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -117.55 116.19 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -119.21 145.63 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -76.5 136.5 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 14.8 mt -129.26 105.21 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -88.91 159.23 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 29.1 t-20 -134.93 98.93 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -28.79 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 95.5 p -61.58 163.12 7.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.08 27.75 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.8 ptp180 -151.07 147.86 27.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -50.81 149.41 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -143.82 116.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -72.13 136.45 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -131.27 141.13 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' CG ' ' CE2' ' A' ' 113' ' ' TRP . 16.6 mmtt -125.16 128.27 48.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.11 118.49 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -140.46 119.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -117.79 165.98 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.0 p -64.31 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.93 70.33 0.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.5 2.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -63.91 -20.84 66.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -103.11 -16.13 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CE1' HD21 ' A' ' 80' ' ' LEU . 6.4 m-85 -110.12 135.38 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -124.72 91.53 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.1 m -91.09 131.28 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.8 ttp85 -143.76 120.86 6.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.76 157.83 91.64 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -98.28 -4.14 35.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 p -169.97 153.83 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.08 -168.92 39.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.2 mt -121.62 144.11 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 74' ' ' VAL . 93.7 mt -110.17 105.63 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.21 150.72 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.78 112.61 3.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 39.55 6.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -144.1 -179.35 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.3 mt -134.67 134.36 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -111.61 137.83 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -108.82 102.76 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.01 137.37 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -88.38 113.29 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 t -100.69 119.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 15.3 mtt -102.05 136.6 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.486 HD21 ' CE1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -133.41 112.11 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.426 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.64 142.81 96.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 143.84 52.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -131.53 114.36 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.79 151.94 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.81 130.18 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -99.72 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -143.38 141.48 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.44 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 2.4 tt -159.77 142.68 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.86 147.95 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.15 139.34 22.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.32 24.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -20.02 35.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -113.8 15.2 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tp -37.79 112.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -125.85 -73.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -87.3 107.82 18.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.6 mtp -57.6 -44.25 85.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 114' ' ' LYS . 8.4 pt-20 -57.88 -55.61 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.17 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.44 -57.06 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CE2' ' CG ' ' A' ' 50' ' ' LYS . 86.4 m95 -52.26 -43.87 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 110' ' ' GLU . 4.1 mptt -61.18 -47.66 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.92 -31.56 72.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.43 132.56 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -93.14 153.11 41.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.57 18.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.47 -25.04 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -107.56 -24.55 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.48 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.8 mtm -102.89 142.05 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.59 163.51 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.6 t -135.45 129.99 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -87.81 118.43 27.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.2 tt -128.12 129.59 46.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -97.94 123.42 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.06 117.49 20.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.62 118.65 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.31 105.63 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.54 158.61 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.923 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tp -106.8 14.93 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -131.39 163.64 27.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.6 t -120.24 106.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.98 147.56 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -140.65 119.2 8.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 54.3 Cg_endo -69.71 136.75 40.26 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.344 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -32.04 19.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -73.66 -74.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -143.86 148.96 36.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 24.4 tp -92.83 117.63 30.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -93.09 148.32 22.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -122.28 127.22 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -92.14 118.93 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.26 -158.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 177.0 30.24 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.301 0.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 28.7 m-85 -101.9 15.09 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -83.2 -41.39 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -116.29 -179.53 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.67 130.55 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.3 151.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -123.12 128.54 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -131.56 124.34 29.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -92.18 120.41 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -105.87 110.7 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' HD23 ' A' ' 37' ' ' LEU . 34.9 mttt -78.03 145.2 36.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.8 mt -143.06 105.65 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.64 161.87 19.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -128.58 98.85 24.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.47 5.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -60.35 156.95 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.54 36.8 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -156.6 140.18 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 79.8 mttt -42.31 133.15 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.65 127.73 70.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 72.3 m -79.8 159.2 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.53 135.76 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 14.0 mmtt -121.65 114.05 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.13 112.57 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -142.95 129.94 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -134.29 167.1 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.6 p -58.51 -23.08 57.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 58' ' ' ARG . . . -108.38 80.17 1.1 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.1 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -88.4 -43.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 55' ' ' ALA . 36.1 mtt85 -62.91 -45.52 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -101.41 128.02 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.71 99.65 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' CG1' ' CG1' ' A' ' 76' ' ' VAL . 67.7 t -94.92 138.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.434 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 8.8 ttt180 -149.88 122.46 4.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.72 143.75 74.66 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.357 -0.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.32 -11.83 60.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -174.16 159.54 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.04 -157.44 27.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 16.6 mt -128.25 132.27 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.44 ' CG2' HG21 ' A' ' 74' ' ' VAL . 36.0 mt -101.32 120.36 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -48.87 155.9 0.98 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.7 39.8 85.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -136.16 178.09 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 74' ' ' VAL . 19.7 mt -130.41 134.73 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 68' ' ' ILE . 22.2 t -116.7 142.23 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -110.35 105.14 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' CG1' ' CG1' ' A' ' 61' ' ' VAL . 84.6 t -89.88 141.97 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.8 m -95.36 111.65 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.449 ' CG1' HG23 ' A' ' 61' ' ' VAL . 21.4 t -110.07 102.9 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.6 mtm -88.48 148.31 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.6 tm? -133.47 112.44 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.5 ' N ' ' OE1' ' A' ' 81' ' ' GLN . 2.0 mp0 -63.02 146.83 95.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.75 135.33 30.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -111.89 123.81 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -120.22 148.45 43.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -134.43 135.22 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -105.47 140.65 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.8 p -140.49 134.45 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 121' ' ' LEU . 2.3 tt -151.39 139.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -45.9 162.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -119.44 127.05 26.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 155.32 65.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.15 54.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 tt -83.47 132.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.1 m -125.42 -66.24 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.53 92.77 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.411 ' CE ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 tpt -45.21 -33.79 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.7 pp20? -64.53 -55.53 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.475 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -49.88 -51.14 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.6 t -42.11 -59.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.519 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 88.5 m95 -53.24 -42.21 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -60.51 -56.44 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.67 -37.5 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.55 131.83 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -96.08 154.88 38.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.79 33.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.36 -28.97 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.94 -21.64 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.433 ' CD2' HG23 ' A' ' 100' ' ' ILE . 12.1 mt -71.1 126.38 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.77 144.5 25.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -131.3 167.6 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.4 p -143.88 136.78 27.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -98.52 107.7 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.22 142.74 49.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -109.41 127.55 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.25 122.68 32.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.01 123.35 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -87.36 105.62 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.93 159.16 15.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.89 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tp -83.6 -28.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.3 135.13 34.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.11 104.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.15 155.42 40.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.94 117.75 5.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.76 138.49 49.38 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.351 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.63 12.27 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -144.02 152.63 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.89 109.52 20.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -88.96 140.8 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 10.3 m-85 -113.17 122.11 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.38 116.44 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.86 -162.56 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.95 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.336 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 57.0 m-85 -98.47 22.5 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -76.76 -12.28 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 3.1 t70 -150.18 -176.73 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.76 118.84 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -99.05 122.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -98.54 110.31 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 90.1 m -104.19 134.79 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -93.44 122.32 35.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -103.5 111.75 24.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -88.04 131.12 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.09 104.62 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.04 154.47 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -133.62 98.86 14.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.36 9.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -54.27 173.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.11 36.68 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 18.9 ptp180 -154.52 150.53 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.99 140.48 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.6 t -135.12 132.45 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.5 m -87.1 132.79 33.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -129.22 146.78 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 40.0 mttt -128.93 129.14 45.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -93.44 130.06 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -144.26 126.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -138.67 149.23 44.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.1 p -58.85 -11.33 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.28 90.53 3.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.068 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -46.71 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -96.45 -47.8 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -52.41 -34.32 47.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 5.4 m-85 -115.9 125.21 52.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -117.57 109.73 17.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.36 125.37 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 29.5 mtp180 -142.69 123.39 8.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.82 159.35 90.0 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.345 0.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -88.48 -9.9 50.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.8 p -170.9 150.77 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.34 -168.81 40.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.61 139.82 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.91 128.74 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.97 150.63 94.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.454 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.78 120.5 7.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 30.51 44.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.1 m -137.63 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 74' ' ' VAL . 61.8 mt -131.69 136.16 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 73' ' ' ILE . 54.9 t -113.99 132.4 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.401 ' N ' HG13 ' A' ' 74' ' ' VAL . 7.4 m -104.45 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -89.52 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -97.9 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.69 92.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -80.77 150.47 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 4.9 tt -132.19 121.31 23.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.429 ' N ' ' NE2' ' A' ' 81' ' ' GLN . 0.2 OUTLIER -64.11 143.01 98.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 52.8 Cg_endo -69.79 127.37 14.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -129.41 128.23 42.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.4 mtm -129.08 144.24 51.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.9 t -132.52 129.98 59.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -99.38 149.84 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 p -152.6 136.53 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.42 HG23 ' CZ3' ' A' ' 113' ' ' TRP . 4.0 tt -159.76 132.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 90.1 m-85 -46.16 141.79 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.49 136.8 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.73 59.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.31 33.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -102.93 7.55 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -41.16 126.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 m -130.54 -53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.78 115.59 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.7 mmm -55.85 -56.13 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -53.12 -31.43 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.18 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.56 -56.9 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.465 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 98.0 m95 -57.87 -37.96 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -62.69 -55.88 22.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -61.21 -38.28 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.46 132.01 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -90.78 154.09 45.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.17 -18.89 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -113.11 -21.25 11.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.07 132.01 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -95.23 150.37 20.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -134.63 158.37 44.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.4 m -135.44 118.52 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -88.05 112.45 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.94 142.12 49.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -110.51 113.0 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 m -77.09 130.24 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.3 t -115.74 145.04 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -104.34 106.51 17.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.3 164.38 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.8 mtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 tp -115.18 -23.94 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.34 126.3 41.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.11 98.6 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.86 160.25 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 13.9 t70 -157.02 119.06 2.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.79 136.57 39.53 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.339 0.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -69.35 -75.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -143.79 151.52 40.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD23 ' CE1' ' A' ' 25' ' ' PHE . 25.0 tp -94.43 102.81 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -75.94 152.18 37.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' ' 23' ' ' LEU . 35.0 m-85 -126.39 105.14 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -76.52 126.52 31.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.56 -158.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.92 85.17 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 0.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -92.36 4.55 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -101.81 3.9 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.95 172.03 13.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.17 125.08 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 34' ' ' THR . 47.5 t -101.28 151.73 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 ' N ' HG11 ' A' ' 33' ' ' VAL . 7.2 m -132.74 111.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -111.46 128.96 56.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -94.92 120.54 35.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -99.35 107.89 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -80.06 140.44 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -135.21 104.97 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.44 144.45 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -119.58 98.79 49.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.43 9.18 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.3 p -59.77 174.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.87 25.62 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -141.45 146.88 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -53.86 143.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.61 118.5 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.9 m -77.97 135.31 37.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -131.98 152.86 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 20.0 mtpt -131.36 128.61 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.07 117.25 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 137.52 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.2 155.3 46.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.36 88.8 5.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.709 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -51.85 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -53.84 -45.19 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.48 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -105.18 132.05 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -123.67 112.36 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -102.15 125.45 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 38.6 ttm180 -144.09 121.08 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.73 150.61 90.35 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.362 -0.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -72.41 -12.32 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.3 p -173.54 175.02 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.36 -160.36 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mt -127.75 137.38 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.3 mt -100.77 120.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.06 148.26 14.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.83 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.32 33.18 9.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -137.78 -177.31 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.8 mt -134.28 133.2 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.6 136.87 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -109.03 111.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.19 152.99 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.8 m -105.61 109.62 21.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.6 96.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.7 mtm -81.72 128.92 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 59' ' ' TYR . 1.6 tm? -118.94 113.1 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' N ' HD21 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.98 143.3 97.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 128.25 15.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.464 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.8 t80 -114.69 141.03 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.02 124.35 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -120.36 123.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -99.01 150.55 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.3 p -149.8 136.79 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -156.29 140.15 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.58 148.66 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.72 136.08 19.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 157.37 60.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.03 43.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 tt -68.76 119.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 -44.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.11 122.63 38.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.11 -51.76 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ALA . 14.2 pt-20 -53.58 -47.11 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . -51.02 -43.46 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.41 -56.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.566 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 60.0 m95 -58.67 -27.07 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -73.97 -58.35 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.73 129.16 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -93.01 153.12 41.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.87 22.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.614 2.209 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.93 -13.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -113.47 -13.5 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 mt -78.74 138.15 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.6 mpp? -104.49 134.41 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -119.44 164.69 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.1 p -142.12 128.42 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -86.65 122.41 30.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -138.86 136.0 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.21 137.17 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.1 m -97.99 115.71 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.59 136.65 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -101.56 114.76 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.57 143.62 29.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.715 . . . . 0.0 110.872 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -80.44 -28.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -86.18 132.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.1 99.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.2 mp -74.18 149.28 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -142.46 118.92 6.95 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.79 136.99 41.61 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.37 0.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -31.01 21.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.8 -74.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 17.4 p30 -143.94 150.86 39.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.5 tp -88.95 101.74 14.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -81.25 134.31 35.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -107.83 124.18 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 1.1 tmmm? -89.0 117.64 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.7 -162.3 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.33 71.34 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.333 0.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 24.7 m-85 -100.54 10.96 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -79.69 12.13 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -166.43 175.06 8.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.77 118.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.0 t -96.44 131.08 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -107.44 109.06 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.4 m -116.01 125.51 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 24.9 p30 -95.94 139.66 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 38' ' ' LYS . 1.1 tt -115.11 113.12 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' HD22 ' A' ' 37' ' ' LEU . 50.7 mttt -81.06 132.92 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 36.7 mt -127.4 104.27 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.94 145.74 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -120.88 98.84 47.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.23 4.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.7 p -53.15 152.91 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -94.5 29.41 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.429 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.5 ptm180 -151.02 155.57 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.72 160.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.1 t -154.57 120.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.2 m -78.54 147.08 33.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 68' ' ' ILE . 24.9 p90 -149.66 140.24 22.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HE3' ' CD2' ' A' ' 113' ' ' TRP . 3.4 mtmp? -122.46 125.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.35 113.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -140.22 127.76 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -126.33 162.23 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -77.38 -11.13 59.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.26 58.72 3.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.562 0.696 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.53 37.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.203 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -21.63 33.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -119.9 21.96 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -144.87 133.17 21.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 m -127.19 94.11 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.09 131.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.0 mtp180 -148.02 121.58 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.8 Cg_endo -69.74 168.34 67.77 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.339 -0.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.78 -0.52 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.4 p -171.65 145.98 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.73 36.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt -126.73 138.38 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 49' ' ' PHE . 68.9 mt -101.58 110.66 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.39 148.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.82 128.34 15.84 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.83 26.91 65.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -135.35 169.5 17.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.23 147.06 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.7 t -124.47 141.6 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.44 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 6.6 m -117.38 103.17 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.03 143.01 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.7 m -90.37 101.3 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.6 t -99.84 103.98 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -91.24 135.66 33.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -122.82 113.62 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.465 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.2 mp0 -61.71 142.78 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 125.38 12.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.473 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.6 t80 -118.01 137.26 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.98 119.76 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.0 126.71 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -104.18 151.64 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.5 p -151.29 144.92 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 tt -156.59 144.1 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -63.15 134.27 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.35 137.26 22.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.19 25.21 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.05 27.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 106' ' ' ILE . 4.9 p30 -96.01 -50.03 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 106' ' ' ILE . 3.4 tt 33.64 51.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 t -40.7 -60.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.06 143.8 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -49.54 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.21 -52.57 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.58 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.27 -47.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CD2' ' HE3' ' A' ' 50' ' ' LYS . 75.1 m95 -66.76 -38.38 86.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -62.0 -54.28 43.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -62.34 -36.74 83.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.16 119.46 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -86.28 154.4 57.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -2.65 10.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -96.41 -25.66 15.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -103.84 -20.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.21 133.9 48.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.7 mtm -107.18 122.92 47.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -112.63 171.77 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.8 t -144.04 123.35 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -86.28 119.48 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.2 tt -130.94 134.42 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -106.92 133.71 51.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.17 139.65 30.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.477 ' CG1' ' OE1' ' A' ' 131' ' ' GLU . 3.1 t -118.49 146.41 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 32.9 m-85 -112.96 111.6 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.477 ' OE1' ' CG1' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -115.88 159.73 21.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.413 ' HE3' ' CD2' ' A' ' 29' ' ' PHE . 4.3 mmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.717 0.294 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -105.21 14.93 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -132.18 131.18 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -92.54 98.57 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.88 150.97 45.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -144.44 118.89 5.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.26 42.8 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.338 -0.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.62 14.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 m -70.19 -75.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.4 p-10 -143.29 150.11 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -89.66 99.49 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 148.7 30.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.44 125.93 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -85.59 116.77 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.53 -162.67 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.78 17.52 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.326 0.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CD2' ' CE ' ' A' ' 132' ' ' MET . 20.2 m-85 -107.32 10.6 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.8 p -71.11 -21.6 62.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.28 -179.6 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.91 129.89 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.0 t -98.74 155.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -124.78 113.17 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -122.16 119.54 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -91.62 124.33 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -102.86 105.42 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -79.71 136.23 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -131.09 103.68 6.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -86.81 155.84 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -129.7 98.71 21.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -24.69 29.63 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -69.52 170.68 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.5 24.8 12.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.68 157.49 44.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.52 139.15 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.23 124.55 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 7.6 m -79.34 152.43 30.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -152.14 150.48 29.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 11.7 mtpt -134.47 119.88 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -81.27 128.24 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -149.88 119.71 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.528 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 9.1 t -119.7 162.17 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 p -52.61 -55.65 20.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . . . -74.49 113.9 28.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.19 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' TYR . 32.8 mmt180 -94.96 -54.14 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 6.8 tpp85 -40.61 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' ARG . 4.3 m-85 -123.6 126.59 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.53 109.82 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG1' HG13 ' A' ' 76' ' ' VAL . 45.6 t -104.23 128.19 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.3 mtt-85 -148.29 124.19 5.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.72 146.26 81.61 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.39 -0.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.6 p-10 -79.69 -5.91 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -167.49 163.23 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -178.89 36.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.47 140.92 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.0 mt -104.58 112.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -46.4 151.39 1.0 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.02 4.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.09 53.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -128.41 -179.11 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 74' ' ' VAL . 59.2 mt -131.39 136.68 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' HG22 ' A' ' 73' ' ' ILE . 20.6 t -112.07 136.94 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -109.27 114.64 28.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG13 ' CG1' ' A' ' 61' ' ' VAL . 49.0 t -98.21 137.35 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -92.86 106.04 18.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.44 100.54 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 mtm -88.36 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 1.8 tt -117.58 114.18 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.427 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.8 mp0 -58.41 142.84 81.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.1 t80 -146.15 127.2 14.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.7 mtm -131.53 152.26 50.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.05 147.97 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -110.23 146.51 35.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 p -145.84 141.01 27.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 tt -159.11 140.71 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.56 135.85 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.31 136.49 21.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.55 18.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ILE . 85.0 m-20 -109.68 -67.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 106' ' ' ILE . 5.3 tt 37.6 44.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.4 m -54.74 -34.55 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -123.8 93.14 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.3 mtp -43.93 -42.53 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.38 -55.01 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.45 -49.19 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.3 -54.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 79.8 m95 -53.96 -42.09 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -53.06 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.3 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.64 127.56 31.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -88.47 154.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -5.35 15.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.83 -17.89 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -111.36 -21.15 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.79 117.13 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.5 mtm -90.75 161.36 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.21 174.17 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.7 m -140.92 121.41 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -83.18 115.25 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 127' ' ' ARG . 7.5 tt -133.92 155.13 50.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 126' ' ' LEU . 35.6 ttp180 -126.99 116.51 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.99 124.33 27.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.36 137.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -99.61 105.45 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.53 162.29 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.756 0.312 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.525 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -88.48 -31.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 14' ' ' ILE . 73.9 mt -91.42 140.31 29.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.15 99.95 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 39' ' ' LEU . 1.9 mm? -66.65 134.03 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.489 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 15.3 t70 -134.35 117.95 13.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.73 136.69 39.99 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.354 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' CA ' ' O ' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.74 -22.01 32.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -75.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 3.4 p-10 -141.78 144.72 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 19' ' ' PRO . 44.3 tp -95.0 106.07 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -82.23 140.18 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 65.0 m-85 -112.7 126.63 55.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 114.29 22.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.81 -161.87 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 38.68 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.388 0.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 45.6 m-85 -102.68 3.66 37.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -70.77 -19.91 62.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -132.89 177.87 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.0 129.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.02 157.2 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -132.46 113.48 13.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.532 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 3.9 m -123.2 121.85 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 3.8 p30 -94.36 134.46 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 18' ' ' ASP . 1.7 tt -118.21 115.46 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -84.66 142.84 29.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 17' ' ' LEU . 58.1 mt -136.6 106.38 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -85.12 151.89 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -129.41 102.53 18.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -32.94 17.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.0 p -61.31 162.17 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.46 23.17 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.0 ptm180 -138.62 151.34 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.65 152.11 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 t -140.84 131.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -88.05 131.48 34.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.9 p90 -133.64 153.82 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -137.79 116.33 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.1 130.71 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -159.4 134.68 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' ALA . 7.2 t -135.3 150.05 49.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.8 p -40.58 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -106.41 87.87 2.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -35.06 13.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -94.89 -44.11 7.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 13.2 ttm180 -56.7 -30.94 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CZ ' HD13 ' A' ' 80' ' ' LEU . 5.1 m-85 -115.42 136.8 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.9 t -121.46 91.86 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.46 134.11 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 60.5 ttt180 -151.59 123.07 3.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.1 Cg_endo -69.73 155.28 93.25 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -90.58 -0.6 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -173.04 154.82 2.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 164.86 -178.47 39.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.6 mt -109.01 137.1 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 49' ' ' PHE . 6.6 mt -99.43 109.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.8 151.19 1.65 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.9 Cg_endo -69.73 126.0 12.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.398 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.15 42.12 68.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m -145.2 162.13 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.08 129.51 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.59 136.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 3.4 m -112.44 114.94 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -95.8 134.82 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -80.64 96.52 6.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 t -96.19 93.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -86.3 149.5 25.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 2.4 tt -124.6 116.36 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.76 142.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 138.01 36.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.473 ' CE2' ' HD3' ' A' ' 58' ' ' ARG . 11.7 p90 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.851 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -138.46 117.21 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 12.5 mtm -120.99 125.24 46.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 136.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -100.73 141.33 33.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.2 p -144.17 140.3 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.453 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 5.7 tt -153.45 147.01 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.525 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 18.1 m-85 -65.32 141.26 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.63 28.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 159.15 54.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.82 29.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -124.96 18.32 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -39.59 127.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -119.39 -61.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -124.09 119.51 29.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mtt -46.54 -52.91 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.98 -38.92 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.76 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.94 -57.43 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.453 ' CZ3' HG21 ' A' ' 100' ' ' ILE . 98.0 m95 -59.21 -37.83 78.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -63.04 -50.18 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.64 -32.72 71.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.55 136.21 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -88.82 152.63 49.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.2 30.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.42 -20.68 18.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -100.76 -21.71 15.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.93 132.76 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 57.9 mtm -102.74 156.78 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.27 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -138.87 122.17 17.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.75 112.09 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 tt -134.57 125.93 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -98.33 130.39 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 48.2 m -87.72 134.4 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.5 t -117.82 129.76 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 43.8 m-85 -87.95 109.24 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -111.15 162.19 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.52 0.676 . . . . 0.0 110.928 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tp -66.92 -37.92 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -90.76 131.33 36.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.6 t -90.77 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.05 156.67 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -148.79 118.4 4.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 136.72 40.26 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 0.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -34.29 14.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -71.83 -75.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.11 151.83 40.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 31.0 tp -95.62 101.39 13.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -85.9 138.5 31.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 15.8 m-85 -111.44 129.7 55.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -90.96 119.31 31.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.94 -161.13 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.93 88.92 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.349 0.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 66.9 m-85 -93.24 12.75 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -79.93 12.08 2.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -167.12 170.25 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.5 121.68 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.27 142.64 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -115.06 129.42 56.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.428 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 54.8 m -130.36 123.03 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 122.62 33.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -104.72 108.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -79.74 129.01 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -120.97 103.69 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.93 137.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -117.03 98.86 52.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -34.97 13.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -58.02 159.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -106.85 42.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 146.44 15.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -47.36 140.5 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.5 t -140.82 122.74 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.8 m -79.72 157.05 27.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -156.53 136.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 12.1 mtmt -119.68 123.22 43.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.82 106.07 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -129.0 129.45 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -141.2 163.64 32.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 p -66.88 -5.63 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.8 83.16 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.698 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -95.92 -46.31 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -54.26 -37.94 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -112.4 131.52 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.1 t -122.54 92.04 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG1' HG12 ' A' ' 76' ' ' VAL . 38.3 t -87.12 130.87 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 2.4 mmt180 -147.01 121.84 5.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.5 Cg_endo -69.78 152.61 92.51 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.367 0.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -84.95 -4.28 59.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -172.08 172.83 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.81 -169.13 31.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -122.04 140.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.1 mt -102.04 117.02 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.2 153.66 1.62 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 111.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.52 38.61 12.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 m -139.75 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 74' ' ' VAL . 85.4 mt -121.53 135.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' N ' HG21 ' A' ' 73' ' ' ILE . 24.6 t -111.34 136.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -107.34 104.13 13.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG12 ' CG1' ' A' ' 61' ' ' VAL . 46.6 t -87.51 136.94 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -96.6 107.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.16 94.18 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -79.64 98.05 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -88.39 116.02 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.454 ' N ' HD21 ' A' ' 80' ' ' LEU . 22.3 mm-40 -65.56 157.18 79.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.09 67.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -145.52 117.25 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 20.5 mtm -121.78 138.01 54.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.95 129.42 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' HD21 ' A' ' 121' ' ' LEU . 8.3 tt0 -99.71 147.32 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.3 p -150.31 144.89 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 tt -159.33 137.83 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -48.54 148.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.88 133.34 21.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 159.38 53.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.12 3.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -86.93 14.48 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.8 tt -39.28 103.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 t -91.05 -70.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.73 126.52 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -16.46 63.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -91.24 -29.19 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.97 85.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.9 t -52.84 -46.23 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.5 m95 -68.19 -37.67 81.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -64.01 -59.22 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -58.65 -39.66 81.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.3 135.2 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -96.13 155.33 38.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -2.72 10.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.59 -11.67 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.74 -10.21 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.453 HD21 ' NE2' ' A' ' 98' ' ' GLN . 14.3 mt -76.59 131.89 39.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -104.39 121.65 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 124' ' ' SER . 8.5 t70 -119.1 166.07 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 3.6 m -141.93 147.26 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -100.46 112.49 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 127' ' ' ARG . 6.4 tt -127.8 129.36 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.428 ' N ' HD22 ' A' ' 126' ' ' LEU . 7.4 ptm180 -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.56 117.78 20.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.04 145.1 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 8.8 m-85 -111.85 114.15 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.44 162.53 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 80.1 mmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.851 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 4.5 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.531 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 9.0 tp -79.97 -34.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 99' ' ' THR . 12.5 mt -95.99 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -83.43 111.08 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 mp -71.28 167.28 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -153.13 117.33 2.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.29 38.01 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.36 -0.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -35.0 13.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 m -68.37 -76.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.46 155.4 43.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 tp -98.44 111.7 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -88.25 139.03 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 37.0 m-85 -112.61 114.56 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -81.06 120.98 25.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.01 -160.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 161.42 86.26 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.34 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 131' ' ' GLU . 38.1 m-85 -95.33 33.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.4 p -103.44 -34.65 8.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -120.03 177.75 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.58 124.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.81 138.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.7 m -109.97 113.22 25.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.549 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 85.8 m -116.72 119.95 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 1.6 m-20 -94.16 121.87 36.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -101.76 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -84.07 129.68 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 53.9 mt -120.74 103.55 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -86.85 154.79 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -134.43 98.69 13.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.81 37.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.2 p -75.93 172.99 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.95 32.5 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 17.1 ptp180 -153.19 141.6 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -40.71 153.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 15' ' ' LEU . 62.6 t -145.94 130.04 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 80.6 m -88.66 126.24 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -128.19 132.49 48.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 22.1 mtmt -120.39 114.84 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.43 106.09 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -109.99 118.68 37.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -141.13 141.09 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -83.94 23.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.97 63.23 55.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -73.4 -35.39 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -83.35 -56.25 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 5.5 m-85 -97.89 141.45 30.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 m -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -88.97 129.47 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 7.4 tpt180 -152.06 121.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 156.22 92.96 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.323 0.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -67.97 -25.86 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 p -171.87 174.26 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.27 -157.22 29.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.4 mt -122.63 142.07 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -106.01 124.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.97 151.53 55.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.18 10.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.93 33.74 65.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.6 m -137.85 170.97 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.5 133.75 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.03 134.97 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.9 m -107.02 104.55 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.67 151.13 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -98.76 98.85 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.4 95.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.03 153.45 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 25' ' ' PHE . 5.3 tt -134.77 122.71 22.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -66.24 142.08 97.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.87 24.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.16 113.75 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.0 146.28 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -139.8 121.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.6 138.93 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 15' ' ' LEU . 36.9 p -137.94 140.43 40.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 tt -151.36 137.4 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 14' ' ' ILE . 44.8 m-85 -50.55 143.65 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.87 145.18 31.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.77 19.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -103.69 28.34 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -45.86 126.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -115.96 -61.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 111' ' ' ALA . 15.0 t0 -105.65 113.01 26.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.59 -55.83 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.92 -51.4 57.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' ' 108' ' ' ASP . . . -49.49 -45.94 47.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.54 -60.03 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.526 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 87.6 m95 -50.03 -44.19 51.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -58.51 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -55.6 -37.08 67.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.03 133.2 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.34 155.5 38.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.54 -19.65 27.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -109.07 -26.47 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.64 133.66 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.0 ptp -127.63 132.02 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.94 167.38 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 121.45 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.96 106.83 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -119.84 131.46 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.422 ' N ' HD21 ' A' ' 126' ' ' LEU . 24.7 ttm180 -105.81 120.75 42.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.2 m -78.72 132.12 36.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.77 127.93 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 46.9 m-85 -90.27 112.49 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.544 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 25.4 mt-10 -100.97 148.08 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 ttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 110.84 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.722 0.296 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 15' ' ' LEU . 5.8 tp -84.35 -43.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 mt -83.74 125.17 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.5 t -86.41 101.84 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.68 165.73 18.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 29.5 m-20 -153.9 117.69 2.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.68 39.89 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.355 -0.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -31.97 19.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.722 2.282 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -73.79 -75.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.0 p-10 -144.12 151.6 39.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 21.0 tp -99.15 108.35 20.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -86.84 141.5 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.464 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 16.9 m-85 -111.53 122.71 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -85.45 112.64 21.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.09 -161.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.3 92.84 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.322 0.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 130' ' ' PHE . 27.1 m-85 -90.02 28.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.5 p -96.34 -36.55 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.97 174.64 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.79 121.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.53 149.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -122.51 110.07 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.43 ' CG2' HD11 ' A' ' 23' ' ' LEU . 93.8 m -116.28 121.79 43.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 11.6 m-20 -91.96 121.4 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.05 114.36 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 18' ' ' ASP . 27.9 mttt -81.74 147.03 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.04 105.9 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.64 153.93 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 50.2 t-20 -124.47 98.72 37.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.703 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.6 Cg_endo -69.78 -21.54 33.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.7 p -81.22 156.95 25.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -100.04 35.54 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.0 ptp180 -152.65 130.46 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' ARG . 47.9 mttt -36.67 147.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.51 122.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -76.15 135.9 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -133.07 131.25 40.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 10.6 mmtt -114.04 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.7 t -87.23 123.87 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -142.84 133.1 24.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 t -136.3 149.78 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 49.2 p -53.26 -28.5 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.7 73.46 1.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.93 33.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -95.74 -26.5 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 58' ' ' ARG . 22.6 ttm105 -107.28 36.1 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CE1' HD21 ' A' ' 80' ' ' LEU . 5.6 m-85 -153.2 139.38 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.96 101.42 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.2 132.37 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.448 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 41.3 ttt-85 -152.31 122.29 3.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.717 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.81 150.77 90.81 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.3 0.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.01 -28.59 70.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 p -172.58 156.34 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.6 -157.52 18.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.07 143.63 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -108.96 112.33 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -48.11 152.18 1.54 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 122.65 9.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.21 39.03 24.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -146.72 169.06 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.1 mt -125.14 133.53 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 75' ' ' THR . 92.8 t -113.34 135.06 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 74' ' ' VAL . 11.6 m -105.51 103.67 13.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.17 137.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 m -86.52 120.91 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.92 98.84 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -90.28 122.99 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -108.35 113.69 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.38 141.05 87.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.19 64.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.39 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.11 121.14 44.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -118.61 103.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.7 t -97.41 132.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -98.76 146.65 25.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.8 p -148.55 129.24 14.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.54 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 3.2 tt -141.98 140.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 35.6 m-85 -58.14 139.13 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.56 139.33 20.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.551 0.691 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.88 58.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.377 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.13 26.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -104.96 19.27 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.5 tt -41.74 123.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -122.9 -69.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 111' ' ' ALA . 10.8 m-20 -87.89 92.72 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -48.31 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 108' ' ' ASP . . . -54.25 -44.24 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.72 -53.33 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.541 ' CZ2' ' HG2' ' A' ' 50' ' ' LYS . 16.2 m95 -54.57 -41.9 70.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -64.04 -55.97 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -56.75 -39.01 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.71 123.29 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -86.81 155.29 55.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.22 29.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.31 -23.46 51.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -103.48 -26.8 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.58 123.0 18.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.3 mtm -98.39 148.98 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 175.71 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -139.03 134.09 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -93.91 106.85 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -122.88 135.76 54.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.44 ' N ' HD21 ' A' ' 126' ' ' LEU . 7.5 ptp180 -103.12 132.44 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.02 131.21 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.6 t -114.29 114.22 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.462 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 17.7 m-85 -87.51 107.67 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -107.84 164.38 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.8 mtp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.924 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 43' ' ' SER . 2.0 tp -81.05 -22.79 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 43.7 mt -94.99 177.13 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.45 113.63 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.55 151.55 36.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -149.64 116.4 3.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.43 43.79 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.332 0.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.85 15.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.7 m -72.04 -75.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -143.76 148.09 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -92.26 103.27 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.93 139.18 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 45.3 m-85 -116.22 116.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -81.71 121.92 26.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.08 -158.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.89 65.85 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.348 0.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 33.6 m-85 -99.68 11.61 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -97.06 -17.19 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 12.7 t0 -135.22 178.13 7.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.07 133.13 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 34' ' ' THR . 59.5 t -103.59 162.97 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 18.6 m -133.8 113.18 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.405 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 17.7 m -126.83 121.02 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -94.09 129.53 40.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -112.39 114.48 27.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' HD21 ' A' ' 37' ' ' LEU . 7.6 mtpm? -87.4 147.82 25.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 17' ' ' LEU . 10.7 mt -138.76 107.18 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.78 148.2 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 50.4 t30 -128.49 98.79 24.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.93 21.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 95.2 p -64.16 158.07 23.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -105.13 34.98 2.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -148.27 137.56 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -45.73 138.74 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.73 125.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.34 147.42 27.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -148.21 141.27 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -122.15 111.31 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.3 t -77.32 105.9 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -128.24 127.19 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.449 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 2.8 t -126.78 153.35 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.8 p -64.77 -20.46 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.12 73.34 1.28 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.83 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -80.5 -1.01 39.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -114.11 -15.91 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.31 132.45 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -112.25 95.31 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.6 t -97.9 132.72 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.1 ttt85 -152.43 121.92 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.72 161.15 86.65 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.36 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.27 -16.65 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 p -164.99 167.04 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.23 -166.09 35.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 68' ' ' ILE . 26.1 mt -124.03 142.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' N ' HG21 ' A' ' 67' ' ' ILE . 54.1 mt -103.13 118.11 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.41 147.86 2.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 107.24 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.8 36.66 6.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.0 m -146.35 168.49 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mt -119.59 134.2 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.93 136.46 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -110.91 104.13 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.7 t -87.8 157.02 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 m -103.69 122.95 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.41 95.21 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 mtm -89.35 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 81' ' ' GLN . 2.5 tt -100.46 121.81 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.44 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.9 mp0 -60.28 144.79 87.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.434 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.74 128.33 15.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.8 t80 -125.46 126.37 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.9 mtm -133.46 134.86 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 98' ' ' GLN . 21.4 t -113.38 142.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.414 ' N ' HG11 ' A' ' 97' ' ' VAL . 3.4 tp60 -108.74 133.89 52.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.2 p -138.34 136.04 35.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.517 HG23 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -153.1 139.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CE2' HG12 ' A' ' 14' ' ' ILE . 57.3 m-85 -50.05 153.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.08 138.13 19.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 167.74 23.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.69 27.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' SER . 91.5 m-20 -107.78 13.7 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.1 tp -37.2 94.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' ASN . 2.9 m -119.33 -49.29 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -102.49 96.66 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 58.6 mmm -50.48 -56.86 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.74 -46.02 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.83 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.56 -55.5 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CZ3' HG23 ' A' ' 100' ' ' ILE . 98.9 m95 -57.28 -33.44 67.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -65.65 -55.49 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.47 -37.66 88.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 130.75 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -93.89 153.78 40.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.33 15.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.08 -21.47 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -107.0 -27.73 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 128.56 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 100' ' ' ILE . 23.7 mtm -99.67 146.23 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.74 165.12 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -131.99 116.5 17.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.44 114.89 22.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 126' ' ' LEU . 2.4 tt -143.48 131.85 22.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 22.3 ttm105 -104.07 137.64 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.7 m -83.53 135.77 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.55 121.03 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -87.55 113.56 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -105.81 147.45 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 13.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.727 0.298 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -99.61 -35.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 41' ' ' ASN . 12.0 mt -95.18 124.09 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.4 m -89.13 143.17 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.0 mp -108.75 163.74 13.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -148.34 117.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 136.81 40.69 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.315 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -33.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -68.23 -77.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -144.13 153.77 42.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 27.4 tp -90.61 111.46 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CD ' ' HB ' ' A' ' 129' ' ' VAL . 1.3 mmmm -89.76 140.17 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 14.5 m-85 -117.52 129.76 56.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -89.78 109.42 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.22 -162.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 175.2 37.44 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 23.7 m-85 -103.05 15.01 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -87.93 -5.86 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -144.46 162.64 36.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.55 119.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.43 145.03 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 126.43 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -129.0 139.93 51.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -104.21 128.87 51.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -112.87 104.19 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -75.76 135.61 40.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.4 mt -127.96 103.83 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 36.5 tt0 -88.08 145.31 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 47.7 t-20 -115.74 98.87 51.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.9 Cg_endo -69.74 -31.11 21.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -61.37 166.29 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -102.35 19.98 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -145.51 163.43 34.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 24.0 mtpt -62.89 148.44 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -140.47 121.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -75.08 125.76 29.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.476 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.7 p90 -117.35 136.01 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 23.6 mmtt -120.17 121.93 39.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.61 112.84 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -148.88 127.19 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 t -119.98 168.48 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -77.0 -15.8 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.93 62.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.36 26.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.04 -18.87 64.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -124.44 23.74 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -146.4 123.98 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.5 m -123.53 92.17 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 62' ' ' ARG . 95.3 t -90.21 136.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.7 ttm180 -148.26 121.08 4.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.82 155.29 93.49 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.333 0.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -80.94 -19.92 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.57 161.81 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.48 -162.41 35.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 71.3 mt -115.5 144.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 49' ' ' PHE . 66.1 mt -112.19 114.18 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -48.7 151.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.67 21.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.626 2.218 . . . . 0.0 112.305 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.5 38.29 95.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -139.01 170.97 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -124.42 134.1 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 75' ' ' THR . 21.6 t -112.74 136.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.457 ' N ' HG11 ' A' ' 74' ' ' VAL . 3.0 m -105.72 99.92 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.07 137.37 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -92.36 106.89 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.3 t -99.57 94.55 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -77.7 126.94 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -115.86 113.02 22.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -66.44 156.66 85.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.66 45.75 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -133.39 115.92 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -102.9 132.5 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.7 t -122.84 126.43 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -102.97 138.95 39.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.3 p -140.36 137.11 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.498 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 4.3 tt -157.5 136.56 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -51.31 155.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 137.75 20.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.504 0.669 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.49 53.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -44.65 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.85 29.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 tt -54.29 112.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.6 m -111.33 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.4 m-20 -96.6 88.72 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.0 OUTLIER -37.73 -53.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -53.57 -52.39 59.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.443 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -45.02 -50.17 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.45 -54.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.498 ' CZ3' HG21 ' A' ' 100' ' ' ILE . 55.7 m95 -57.43 -41.25 80.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -60.27 -59.22 5.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.28 -36.94 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 133.66 6.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -91.33 151.2 42.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.75 29.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.331 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' C ' ' OE1' ' A' ' 120' ' ' GLU . 3.8 m-20 -98.53 -18.08 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -103.07 -18.3 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.83 125.95 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -91.96 129.41 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.43 157.86 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -138.86 127.57 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.2 116.25 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 67.7 ttt180 -101.13 137.33 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.8 m -100.4 123.49 44.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.467 ' HB ' ' CD ' ' A' ' 24' ' ' LYS . 20.2 t -95.12 129.03 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -97.83 108.94 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 7.9 mt-10 -105.01 167.15 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 mtp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.695 . . . . 0.0 110.856 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 15' ' ' LEU . 8.9 tp -79.73 -36.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 14' ' ' ILE . 10.0 mt -85.7 120.19 26.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.33 104.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -70.08 163.1 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.02 117.12 4.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.554 0.692 . . . . 0.0 110.846 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 54.1 Cg_endo -69.75 136.97 41.38 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.24 29.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -83.48 -76.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -144.67 154.54 42.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 57.6 tp -96.11 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -96.58 139.83 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.463 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 69.7 m-85 -117.68 105.95 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -73.09 119.45 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.33 -160.39 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.19 86.62 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.341 0.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 34.2 m-85 -91.05 2.46 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -58.81 -23.07 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.468 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 5.1 t0 -136.21 -174.72 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.99 128.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 34' ' ' THR . 42.2 t -100.2 156.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.3 m -117.12 105.81 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 82.0 m -110.93 129.37 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -103.18 120.36 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 37' ' ' LEU . 1.5 tt -103.46 104.11 14.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -79.28 145.54 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 16.9 mt -131.01 106.13 8.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.23 148.9 24.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -126.85 98.8 30.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.78 34.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -70.19 162.08 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.8 25.78 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.4 ptp85 -146.01 157.76 43.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -61.14 155.67 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.07 125.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.01 139.56 36.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.1 137.77 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 26.6 mtmt -127.44 121.94 32.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 t -78.05 127.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -147.08 119.61 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -136.8 167.34 21.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.8 p -63.97 -14.28 52.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.45 80.06 7.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -88.33 -58.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -38.74 -37.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CE1' HD21 ' A' ' 80' ' ' LEU . 8.4 m-85 -105.32 152.92 22.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -127.18 92.0 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.2 t -91.34 128.68 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.7 mtp180 -146.97 123.04 5.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.76 156.26 92.88 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.347 0.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.1 p -172.03 163.79 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.89 -159.89 32.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mt -129.28 144.97 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 74' ' ' VAL . 45.6 mt -108.02 123.06 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -52.71 157.23 2.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.3 Cg_endo -69.79 121.63 8.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.61 39.73 67.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.0 m -138.87 164.95 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.44 132.86 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 68' ' ' ILE . 88.4 t -113.97 127.74 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.92 109.89 21.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.36 145.12 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 m -99.93 102.78 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -105.94 91.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -82.17 111.33 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -94.13 111.65 23.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.45 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mm100 -66.32 155.89 86.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.74 134.46 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 1.1 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -143.31 120.98 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -118.88 148.02 43.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.16 131.44 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.62 125.43 50.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -128.53 144.28 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.447 HG21 ' CH2' ' A' ' 113' ' ' TRP . 2.7 tt -159.69 139.74 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -52.88 145.69 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.94 133.47 20.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.135 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.32 57.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -35.34 12.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -95.88 25.05 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -51.27 101.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.9 m -95.42 -64.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -100.77 126.0 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.4 tpt -68.44 -38.94 81.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -69.66 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.25 95.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.68 -51.97 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 66.7 m95 -60.44 -26.54 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -76.51 -56.09 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.35 -36.95 83.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.09 119.46 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -85.94 155.73 58.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.78 19.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -89.42 -16.04 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -114.06 -9.93 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.1 mt -82.27 137.63 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -110.87 120.4 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 124' ' ' SER . 10.3 t70 -105.79 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 35.0 m -140.13 120.2 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -85.6 112.37 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 127' ' ' ARG . 6.7 tt -121.6 143.41 49.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.463 ' N ' HD21 ' A' ' 126' ' ' LEU . 52.2 ttt180 -111.26 106.7 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.77 116.25 9.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.54 129.87 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 80.9 m-85 -93.0 110.85 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.69 157.67 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 18.0 mtp . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.772 0.32 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -109.27 -27.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' N ' HG21 ' A' ' 14' ' ' ILE . 46.1 mt -104.3 129.57 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.66 104.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.37 159.15 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.0 m-20 -153.96 119.07 2.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.73 136.22 37.67 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.386 -0.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.43 12.75 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -67.96 -76.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.34 156.07 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 17.3 tp -98.88 105.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -81.43 153.04 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 20.0 m-85 -129.71 109.62 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -73.3 118.74 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.77 -160.93 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.15 33.71 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.387 0.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 24.3 m-85 -103.28 21.45 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t -88.73 -16.57 31.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.18 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.91 119.61 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.9 t -102.11 117.05 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -93.85 120.94 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 3.4 m -107.56 143.22 36.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -99.76 120.4 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -116.17 101.28 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -78.12 149.07 33.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' CB ' HD11 ' A' ' 68' ' ' ILE . 35.1 mt -134.81 104.58 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -84.66 153.89 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -132.5 103.12 13.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.12 6.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -53.49 176.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.08 22.28 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -140.86 148.83 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -52.61 136.34 32.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.16 135.87 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.3 m -86.55 146.88 26.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 68' ' ' ILE . 18.6 p90 -148.6 130.96 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 46.1 mttt -117.29 145.45 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.4 123.72 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 133.53 20.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.5 t -132.96 165.44 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -80.44 -11.89 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.59 62.0 23.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.553 0.692 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -40.59 5.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -58.43 -15.77 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -113.36 -28.67 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.504 ' CE1' HD22 ' A' ' 80' ' ' LEU . 5.4 m-85 -108.14 124.22 49.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.71 94.25 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.36 123.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 17.4 mmm180 -138.72 123.21 11.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.78 161.92 85.25 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.361 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -98.78 -0.44 42.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -174.78 150.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.48 -160.68 32.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mt -128.19 138.9 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 49' ' ' PHE . 68.3 mt -101.88 124.02 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.12 152.47 29.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.43 53.24 3.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 m -155.96 163.17 40.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 88.8 mt -113.75 128.75 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.8 t -110.9 125.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.67 118.58 31.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -99.69 153.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.46 104.86 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.1 93.74 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 62' ' ' ARG . 5.1 mpp? -75.5 112.39 11.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD22 ' CE1' ' A' ' 59' ' ' TYR . 1.6 tm? -107.24 112.85 25.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.469 ' N ' HD23 ' A' ' 80' ' ' LEU . 6.2 mp0 -71.06 143.68 89.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 148.83 65.76 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -118.7 126.98 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -128.63 140.37 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.7 t -127.25 129.48 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -101.9 153.03 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 15' ' ' LEU . 31.6 p -152.46 130.19 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -147.81 129.29 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 39.0 m-85 -44.3 154.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.42 20.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.705 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.43 30.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.71 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.08 21.55 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.6 tp -43.94 104.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -122.4 -54.46 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.2 92.87 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.7 mtp -50.44 -44.25 55.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.77 -37.99 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.47 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.15 -62.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.526 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 96.3 m95 -49.92 -32.76 15.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -70.2 -58.04 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.91 -29.45 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.37 125.39 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -85.77 155.7 58.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.43 10.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.35 -18.89 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -108.59 -13.29 14.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.29 127.78 33.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.42 136.07 38.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.45 168.2 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.0 p -141.76 124.71 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -82.89 113.76 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.9 tt -129.69 151.03 50.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.465 ' N ' HD23 ' A' ' 126' ' ' LEU . 14.4 ptt85 -126.93 141.75 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.9 m -100.74 127.92 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.4 t -96.43 141.03 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -101.44 105.14 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -110.61 149.43 30.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ptm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -151.53 118.79 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -50.52 124.56 10.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.22 110.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -100.48 137.99 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 p -110.3 89.98 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.33 151.74 28.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mmt -111.06 123.11 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.67 174.23 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -99.36 114.76 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 6.0 p-80 -154.46 121.53 5.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.78 99.41 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.38 145.46 50.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 tp -107.5 -33.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.61 125.24 35.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.34 104.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.5 mp -69.68 148.1 49.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.8 m-20 -142.32 119.58 7.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 54.4 Cg_endo -69.72 137.22 42.61 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.36 0.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.72 21.9 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.377 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 m -76.56 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -142.96 147.71 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 tp -96.44 107.11 19.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.48 154.27 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -129.38 117.82 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 117.3 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.29 0.27 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -177.25 14.15 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.364 0.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 20.8 m-85 -103.9 -17.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -83.06 9.7 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -149.84 168.05 24.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.35 130.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 t -103.77 160.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 m -139.89 111.67 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 m -126.97 122.48 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.63 128.74 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 37' ' ' LEU . 1.6 tt -108.15 113.95 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -85.02 131.81 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 25.9 mt -123.58 105.41 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -87.51 144.74 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -123.92 98.83 38.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.26 24.06 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -62.89 167.38 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -112.77 26.47 10.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 4.5 ptp180 -141.8 148.26 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -50.36 147.51 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -146.26 133.52 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -93.84 140.44 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -128.48 135.45 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -116.65 108.21 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 t -76.31 118.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -138.59 128.63 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -127.15 165.88 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -78.57 -13.12 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.72 66.41 64.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.0 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -89.13 -31.17 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -108.63 24.73 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -143.13 131.62 22.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -122.78 94.09 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' CG1' ' A' ' 76' ' ' VAL . 90.5 t -94.76 132.77 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 26.5 ttt85 -153.32 123.22 3.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.77 147.4 84.59 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.331 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.98 -3.93 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 96.0 p -172.84 173.64 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.0 27.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.0 mt -115.65 134.17 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.4 108.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.71 151.73 0.31 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.74 122.59 9.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.383 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 39.68 29.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.1 m -145.42 165.49 28.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.04 138.54 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.1 t -114.84 140.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.7 m -107.92 101.68 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CG1' HG11 ' A' ' 61' ' ' VAL . 84.2 t -87.38 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.8 m -95.58 110.57 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.5 t -109.51 92.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.6 mtm -84.03 130.34 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -103.48 117.97 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.64 143.65 86.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 119.76 6.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -141.34 164.96 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -68.92 95.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -82.15 139.38 34.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 88' ' ' ASN . 2.5 t70 -110.32 138.77 20.98 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -22.71 31.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.441 ' CG ' ' OD1' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -107.89 35.47 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.01 151.64 46.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -93.69 155.19 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.7 m -78.87 69.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' HIS . 18.4 mmmt -99.86 -64.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' LYS . 23.1 m80 -37.97 148.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -152.94 152.38 31.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.18 112.64 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtm -111.0 119.43 39.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.55 126.57 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.73 140.26 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.0 p -142.22 139.23 31.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.555 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -157.06 137.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -52.37 156.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.3 141.56 23.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.1 22.53 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.59 29.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 23.9 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 tp -47.51 97.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.2 m -111.7 -57.67 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -102.33 115.38 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 73.1 mmm -68.39 -50.0 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.34 -29.35 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.29 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.79 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.555 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 82.3 m95 -53.29 -30.79 40.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -72.69 -55.57 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.97 -37.19 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.33 130.44 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -89.63 153.33 47.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.07 -10.96 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -114.75 -26.57 7.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.69 125.52 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -94.52 133.57 37.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.6 168.89 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -139.81 135.05 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 127' ' ' ARG . 5.6 tt -127.93 149.86 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.467 ' N ' ' CD2' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -119.57 136.99 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 91.1 m -93.91 119.31 32.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.42 123.36 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 4.4 m-85 -89.77 114.1 25.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -105.71 167.55 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.542 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 5.7 mmt -107.91 147.22 35.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 135' ' ' GLU . 54.0 Cg_endo -69.7 -23.24 31.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -52.61 87.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 133' ' ' PRO . 0.1 OUTLIER -76.74 168.49 19.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -113.38 -45.05 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.14 117.08 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -39.54 141.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tt -123.39 131.07 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -124.03 -38.79 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -159.71 162.98 35.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.4 m -94.23 35.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -178.59 -95.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.59 41.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 m -91.36 -39.73 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 31.4 p -46.14 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -123.7 151.58 43.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -113.96 140.63 48.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -131.27 0.94 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 t -122.83 115.22 21.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -61.49 -54.88 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.68 173.62 42.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.74 131.74 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.14 157.35 45.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -115.07 90.74 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -173.44 159.74 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -160.23 147.63 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -154.92 149.91 26.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 15' ' ' LEU . 8.1 tp -68.76 -39.34 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' ' 14' ' ' ILE . 66.1 mt -82.61 121.96 27.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.68 98.73 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.8 mp -64.82 160.93 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -152.92 118.18 2.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.62 39.67 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.365 0.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.12 25.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.8 m -77.99 -75.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.92 148.5 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -89.03 92.53 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.94 148.58 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -124.19 121.3 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -79.58 113.76 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.25 -161.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.16 33.64 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 0.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 64.2 m-85 -101.35 4.48 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -84.38 13.75 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -163.06 164.37 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.04 125.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.3 t -105.61 157.81 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 m -128.52 124.11 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -132.79 123.8 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 5.4 p-10 -90.8 132.98 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD21 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -106.18 103.68 13.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.56 129.42 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 15.0 mt -122.91 107.14 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 41' ' ' ASN . 1.3 tm0? -88.6 146.38 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 36.3 t-20 -126.35 98.8 31.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -19.54 35.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -75.44 165.32 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -107.44 14.46 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -128.53 133.93 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -42.55 137.76 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' ILE . 62.6 m -81.45 137.42 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.539 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.5 p90 -134.66 133.42 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 24.4 mttm -113.22 119.45 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.42 123.66 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -157.42 121.93 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 3.0 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -71.37 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.41 67.15 2.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.76 27.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -63.41 -28.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HD2' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -109.77 0.98 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD2' ' HD2' ' A' ' 58' ' ' ARG . 6.5 m-85 -119.37 131.34 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -123.16 95.98 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' CG1' ' A' ' 76' ' ' VAL . 92.5 t -99.26 128.44 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 51.4 ttt180 -146.48 123.92 6.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 149.18 88.25 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.303 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -77.27 -13.62 59.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -168.48 161.56 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.85 -154.96 25.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 68' ' ' ILE . 38.1 mt -132.32 137.83 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 111.095 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 49' ' ' PHE . 66.2 mt -100.99 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' ILE . 29.4 m-20 -36.9 149.86 0.16 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 113.78 3.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.69 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -140.62 -179.45 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.457 ' CG1' ' HG2' ' A' ' 40' ' ' GLN . 18.6 mt -130.11 135.92 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.96 135.11 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 25.1 m -109.61 101.35 10.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.457 ' CG1' HG13 ' A' ' 61' ' ' VAL . 60.3 t -83.34 151.22 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 m -99.1 104.42 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.76 93.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.98 130.34 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -103.56 111.57 24.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 4.4 mm-40 -58.37 154.15 34.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -157.37 153.5 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -71.37 108.09 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.406 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 9.9 t80 -57.03 101.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.65 92.15 45.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.828 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -38.92 7.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -52.47 -20.89 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.96 57.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -93.71 42.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -40.32 -55.33 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -172.37 117.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -153.06 119.37 5.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -151.49 -179.5 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.494 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 7.7 t80 -129.86 124.08 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.12 130.97 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.6 t -130.45 120.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -101.91 148.81 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 p -150.21 140.42 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.43 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -158.07 151.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' N ' ' CG1' ' A' ' 100' ' ' ILE . 40.8 m-85 -68.03 143.98 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.2 139.57 21.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.29 46.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -83.47 21.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.52 117.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -106.93 -61.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -123.3 111.99 17.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 49.9 mtp -47.45 -38.24 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.63 -47.2 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.33 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.57 -59.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.6 m95 -49.72 -41.32 43.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.67 -55.5 26.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.56 -34.77 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.34 133.09 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -93.22 155.76 40.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.67 19.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -97.33 -9.35 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.43 -23.07 9.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 137.16 44.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.3 mpp? -108.46 142.06 39.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -122.14 170.79 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -141.81 123.61 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -87.86 111.22 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 127' ' ' ARG . 7.0 tt -123.86 140.67 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' N ' HD21 ' A' ' 126' ' ' LEU . 34.5 ttm-85 -115.82 117.23 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.45 135.2 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.17 125.74 66.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 52.2 m-85 -89.29 107.96 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.547 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 8.0 mt-10 -101.12 165.59 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 29' ' ' PHE . 33.5 mtp -138.87 144.07 39.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.33 63.53 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.66 120.52 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -48.39 139.82 8.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.83 158.48 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 138' ' ' LYS . 29.2 t70 -93.7 147.12 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 ptmm? -37.52 109.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.6 tp -148.23 109.58 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.33 101.39 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.68 -46.76 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 39.6 m -63.95 103.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -123.54 -84.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -0.28 6.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.4 m 55.31 44.46 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.8 t -157.34 115.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 p -168.6 161.06 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.809 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -164.57 167.74 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.06 176.84 19.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -158.7 143.64 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -95.4 -47.1 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.52 144.14 11.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptm -145.46 124.75 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.89 171.5 13.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.68 150.57 51.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -95.98 54.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.32 37.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -148.17 145.64 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -74.59 -37.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 41' ' ' ASN . 72.5 mt -89.95 131.03 36.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -86.04 107.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.6 mp -72.69 157.64 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.13 118.25 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.77 136.73 40.27 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.308 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -24.07 30.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -82.73 -76.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 14.9 m-20 -144.17 152.97 41.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' CB ' HD22 ' A' ' 126' ' ' LEU . 27.0 tp -94.3 112.43 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -92.32 139.27 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 80' ' ' LEU . 29.6 m-85 -113.87 120.69 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.78 120.41 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.85 -158.5 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 158.64 90.71 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.299 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 21.7 m-85 -92.13 30.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -107.98 0.54 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -149.72 178.78 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.28 118.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -96.63 147.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -124.47 113.23 17.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -118.97 123.99 45.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 3.3 m120 -92.85 131.51 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 37' ' ' LEU . 1.3 tt -111.12 110.67 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -79.69 133.38 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.2 mt -125.93 105.93 9.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.65 155.7 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 30.6 t-20 -134.38 98.81 13.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -34.32 14.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.8 p -62.73 155.67 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.71 25.0 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.2 ptp180 -138.73 143.29 39.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -45.54 150.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.7 t -146.21 121.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -83.57 132.02 34.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 68' ' ' ILE . 30.3 p90 -128.2 146.91 50.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 18.9 mtpt -133.2 123.99 26.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.46 120.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.64 120.63 24.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -136.01 144.64 45.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.3 p -65.45 -6.92 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.43 82.39 1.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -41.7 4.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -94.61 -43.39 8.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -62.18 -35.62 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 130' ' ' PHE . 10.9 m-85 -119.87 125.71 49.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.86 112.2 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 76' ' ' VAL . 81.8 t -108.69 129.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -148.07 123.94 5.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.71 153.02 92.71 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.351 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.98 -7.69 59.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -171.55 165.16 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.67 -169.87 35.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 68' ' ' ILE . 38.1 mt -117.46 138.52 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.506 HG13 ' CE2' ' A' ' 49' ' ' PHE . 32.5 mt -101.92 113.18 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.04 145.26 9.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.71 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 27.2 29.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.9 m -137.82 168.39 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.4 134.09 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.22 132.3 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 4.2 m -105.39 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG1' HG11 ' A' ' 61' ' ' VAL . 85.8 t -83.55 143.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -91.92 109.32 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 t -109.47 94.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -82.43 135.46 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 1.2 tm? -121.26 112.83 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -69.38 144.13 94.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.4 47.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.244 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -154.69 162.84 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.35 105.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.84 111.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.44 92.17 6.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -46.34 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -130.26 9.13 5.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -93.66 83.25 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 39.78 51.04 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.8 p -69.93 140.27 53.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -153.33 131.89 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 14.6 p-80 -166.56 129.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HE2' ' CE ' ' A' ' 125' ' ' LYS . 13.2 ttmt -140.81 145.13 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -149.51 106.55 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.57 156.09 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 98' ' ' GLN . 61.7 t -137.62 141.01 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 97' ' ' VAL . 15.0 tt0 -114.68 146.07 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.4 p -148.45 117.74 6.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 5.0 tt -133.83 141.49 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -56.83 149.55 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.81 138.94 24.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 161.28 46.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -11.91 31.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -126.25 27.04 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -50.52 99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.8 m -93.94 -56.66 2.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -126.81 130.13 49.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.5 mmm -47.36 -51.94 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.08 -41.41 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.05 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.38 -58.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 88.2 m95 -58.93 -34.46 71.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.47 -55.52 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.49 -32.6 74.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.39 130.56 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -91.84 153.67 43.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.06 22.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -97.44 -4.41 38.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.44 -19.19 6.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.32 121.03 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -89.79 125.94 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.23 151.26 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -134.71 112.84 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.452 ' CE ' ' HE2' ' A' ' 94' ' ' LYS . 15.8 tptt -83.09 109.71 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 127' ' ' ARG . 6.6 tt -113.62 134.64 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.427 ' C ' HD23 ' A' ' 126' ' ' LEU . 38.2 ttm180 -99.71 137.84 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.18 126.85 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.31 112.45 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 22.3 m-85 -86.19 104.62 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.573 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 64.7 mt-10 -97.18 167.21 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.4 mmm -113.78 143.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.06 6.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.393 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -38.46 -40.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -109.3 118.78 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -120.28 97.72 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -75.35 170.34 16.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -110.73 110.68 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.73 158.41 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.0 p30 38.86 32.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -65.91 100.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -174.3 166.31 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.12 -167.0 25.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 112.25 3.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.25 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.8 p -74.21 141.33 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.6 t -149.87 144.61 26.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -106.74 112.73 25.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.903 0.383 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -80.78 -48.73 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.2 -120.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 48.18 42.5 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -103.68 104.14 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.85 148.17 17.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.0 ttm -84.39 86.83 7.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.33 163.91 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.33 108.25 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -105.85 117.95 35.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -111.96 9.09 20.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -135.4 148.59 49.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 tp -76.44 -30.4 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -84.65 130.31 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.0 t -84.59 99.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.5 158.89 28.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.46 118.45 2.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.4 Cg_endo -69.81 137.17 42.56 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.342 0.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 p -80.58 -74.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 7.5 m-20 -144.03 149.39 36.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.529 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 17.6 tp -93.9 109.48 21.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.8 150.98 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 13.6 m-85 -124.37 113.14 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.19 15.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.98 -159.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.77 83.49 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.39 0.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 20.6 m-85 -87.27 -12.97 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -58.61 -29.99 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.97 168.57 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 2.8 p -66.23 122.64 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.28 148.61 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -115.9 111.32 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -112.01 134.36 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -107.87 122.96 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -101.99 111.52 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' N ' HD23 ' A' ' 37' ' ' LEU . 27.9 mttp -82.4 138.5 34.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -131.42 103.62 6.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -86.65 158.67 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.34 99.05 14.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -22.13 32.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 p -71.57 -179.62 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.25 27.77 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HD3' ' CD1' ' A' ' 101' ' ' PHE . 3.1 ptm85 -143.05 135.16 27.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -39.87 135.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -132.5 122.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 98.0 m -81.33 133.36 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 66' ' ' GLY . 25.7 p90 -130.58 148.12 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 16.0 mttm -131.08 142.08 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -105.19 123.13 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -143.18 130.32 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -141.05 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 p -70.17 -6.34 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.85 81.87 7.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.83 17.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.9 -55.18 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -53.4 -48.85 68.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -99.28 127.12 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -121.87 101.77 7.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.09 129.73 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 42.3 ttp180 -145.94 122.61 5.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.4 Cg_endo -69.72 157.14 92.26 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.354 -0.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -87.65 -5.16 58.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p -172.02 147.48 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 177.14 -175.32 47.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.18 135.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.44 HG12 ' CG2' ' A' ' 74' ' ' VAL . 67.9 mt -99.76 116.99 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.09 146.44 8.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.97 2.44 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.63 43.68 4.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.4 m -154.74 -176.97 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 74' ' ' VAL . 19.8 mt -131.07 139.64 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 t -113.5 139.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -115.76 101.66 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.31 137.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -86.36 106.75 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -100.66 101.83 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.1 mtm -83.22 134.8 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -118.9 114.1 22.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.473 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.2 mp0 -68.83 141.62 92.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.39 8.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -140.42 174.2 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.75 102.31 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.16 136.18 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.39 98.0 8.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.89 -29.5 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -109.19 153.33 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -115.23 -55.02 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -97.48 103.47 15.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 -55.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -79.31 155.58 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -136.82 145.95 45.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.49 133.66 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.0 mtm -129.4 114.57 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -112.37 123.15 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.61 142.18 33.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.2 p -142.89 141.57 31.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.6 tt -154.0 146.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CD1' ' HD3' ' A' ' 45' ' ' ARG . 72.5 m-85 -63.97 136.03 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.4 138.55 20.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.87 44.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.03 30.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -115.67 49.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 tt -77.87 109.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -102.28 -65.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -87.88 108.99 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.0 tpt -59.74 -57.4 13.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.75 -51.29 61.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.97 -49.05 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.3 t -50.08 -56.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.49 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 82.7 m95 -57.32 -39.96 76.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -59.89 -53.05 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -64.53 -36.63 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.05 120.78 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -84.09 155.06 64.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 -17.68 25.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -114.86 -6.84 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.3 mt -86.57 119.6 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -89.64 156.88 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -146.09 162.42 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.9 t -134.91 121.54 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -84.15 107.58 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.9 tt -128.57 133.83 48.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -102.87 136.56 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.01 115.73 26.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 51.2 t -95.35 132.22 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.2 m-85 -101.53 107.38 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -110.82 151.63 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.2 mtp -96.49 153.19 38.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.543 0.687 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.382 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 52.65 41.95 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -106.7 130.11 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -94.99 115.07 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.38 135.16 26.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -76.96 120.89 22.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 mp -96.08 172.06 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -91.23 157.85 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.14 143.25 32.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.2 m -113.38 135.65 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 156.47 147.59 4.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 145' ' ' SER . 53.7 Cg_endo -69.76 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 144' ' ' PRO . 19.1 p -35.58 139.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.3 p -61.2 138.21 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m 60.44 41.91 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -92.03 107.03 18.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.02 87.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.54 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -126.46 121.27 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -145.37 145.73 31.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.79 -153.71 22.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.76 168.75 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.41 164.8 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -102.09 47.34 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -137.88 129.68 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -110.05 130.47 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.15 149.32 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.551 HG12 ' CE1' ' A' ' 101' ' ' PHE . 11.4 tp -80.18 -20.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -115.42 114.26 24.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m -89.37 143.94 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.8 mp -105.75 161.1 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.69 117.48 4.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.47 43.99 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.309 -0.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -36.18 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.6 m -67.06 -76.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 152.26 40.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.2 tp -96.27 106.28 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.58 155.43 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.528 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 35.3 m-85 -128.89 121.48 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -80.74 122.4 27.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.58 -162.46 11.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.83 24.19 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.342 0.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 19.6 m-85 -103.67 14.76 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -76.68 -22.65 53.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -130.63 177.38 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.63 121.0 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.62 139.55 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -111.59 112.2 23.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.528 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 5.5 m -106.81 140.08 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.22 120.47 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -108.17 108.71 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.33 141.74 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 26.6 mt -131.87 104.97 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 40.5 tt0 -89.15 149.76 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.58 98.9 33.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.94 37.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.456 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 88.9 p -72.52 -176.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -126.35 15.85 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -137.58 149.27 46.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -50.37 144.55 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.33 121.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.0 m -74.03 135.64 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.57 129.77 31.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 17.4 mttm -115.68 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.26 109.3 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -131.27 126.71 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -129.81 149.53 51.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -53.03 -20.41 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.58 79.89 1.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.571 0.7 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -35.01 13.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -88.31 -54.01 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -51.56 -39.1 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 4.5 m-85 -110.99 143.77 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.26 102.98 7.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.432 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 56.2 t -91.42 125.76 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -145.23 116.13 5.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.24 84.55 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.368 -0.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m120 -90.17 -16.36 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -170.57 156.04 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.66 -149.14 11.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 68' ' ' ILE . 86.9 mt -133.68 140.33 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' N ' HG21 ' A' ' 67' ' ' ILE . 65.8 mt -103.96 116.85 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.53 147.95 2.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.25 33.28 20.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.6 m -141.57 157.06 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -108.11 130.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.1 132.55 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 m -103.15 120.98 41.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.25 137.6 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -90.37 96.33 10.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.04 98.14 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -79.74 148.15 31.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.543 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -131.41 111.48 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.403 ' N ' HD21 ' A' ' 80' ' ' LEU . 1.5 mp0 -65.8 145.74 99.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 114.79 3.82 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -138.33 159.97 40.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -64.63 92.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -59.53 104.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.55 92.19 48.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -40.11 5.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -45.42 -44.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -112.6 100.78 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -126.15 130.77 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -94.49 -48.62 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -129.42 -63.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 m80 40.18 51.84 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -128.2 166.79 17.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -145.04 122.8 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.65 145.45 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.78 134.69 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -102.56 147.78 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 p -150.96 128.72 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.516 HG22 ' CH2' ' A' ' 113' ' ' TRP . 3.1 tt -150.18 144.85 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 14' ' ' ILE . 96.5 m-85 -57.63 152.32 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.3 136.09 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.21 22.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -29.3 24.16 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -117.75 65.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 tt -92.42 98.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -89.33 -54.39 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -110.82 117.3 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 45.2 mtp -66.42 -46.42 76.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.32 -38.39 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.97 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -52.39 -56.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.516 ' CH2' HG22 ' A' ' 100' ' ' ILE . 99.3 m95 -54.97 -37.56 66.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.97 -52.42 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.96 -33.86 76.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.34 135.34 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -95.61 153.23 39.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.84 -18.33 35.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -113.55 -18.32 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.38 127.37 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.03 123.16 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.39 165.43 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -136.45 123.19 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -84.4 116.86 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.8 tt -137.66 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -110.97 131.05 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.5 m -74.41 117.43 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.39 117.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.4 m-85 -88.29 113.26 23.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -103.02 159.77 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.2 mtp -135.37 145.2 52.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.1 17.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.278 . . . . 0.0 112.361 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.409 ' OD1' ' CB ' ' A' ' 136' ' ' ASN . 15.0 t-20 -39.11 -63.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 65.88 47.93 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' CB ' ' OD1' ' A' ' 134' ' ' ASN . 4.3 t-20 -102.56 -11.13 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.72 23.45 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -90.72 139.11 31.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.27 -69.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.69 167.66 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -55.04 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t -65.62 149.77 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -168.13 165.1 38.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.76 31.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 m -41.33 128.93 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 t -48.66 173.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -103.79 124.11 48.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -88.23 121.87 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.36 -169.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -99.0 154.33 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -164.65 154.6 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.8 -84.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ptp -136.7 159.52 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.2 122.78 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 153.42 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -144.94 151.33 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 5.3 mp0 -113.16 0.79 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -81.93 134.89 35.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tp -96.68 -25.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.64 129.19 44.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.9 t -94.85 104.6 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.94 152.89 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -143.22 117.99 6.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 137.82 46.05 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.34 0.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -35.58 12.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -70.23 -75.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.98 151.8 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 41.8 tp -89.63 117.84 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -94.18 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 38.7 m-85 -114.43 124.76 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -84.19 122.63 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.61 -162.03 10.9 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -174.5 9.56 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.34 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 21.4 m-85 -110.63 2.5 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -74.37 -4.9 39.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.68 166.09 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -51.21 131.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.53 158.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 m -133.64 119.98 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.498 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 93.1 m -129.63 120.6 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.03 130.84 37.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -110.05 112.06 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' N ' HD23 ' A' ' 37' ' ' LEU . 50.4 mttt -82.16 136.86 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.88 103.95 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 15.1 tt0 -89.31 152.19 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.413 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 42.8 t30 -130.57 98.82 19.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.05 31.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 p -61.89 -177.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -123.75 14.16 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 3.6 ptp180 -135.85 152.89 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.11 150.08 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -147.35 133.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 m -88.25 149.1 24.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -145.36 141.89 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HE2' ' CD2' ' A' ' 113' ' ' TRP . 29.1 mtmt -130.7 119.17 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.9 107.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -115.64 128.18 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 t -139.34 160.37 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.9 p -73.19 -2.56 22.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.01 85.74 24.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.07 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -94.65 -48.07 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -47.32 -39.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.489 ' CZ ' ' HG ' ' A' ' 80' ' ' LEU . 4.8 m-85 -107.42 145.75 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.45 91.69 3.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -98.74 133.36 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 77.4 mtt180 -154.38 122.25 2.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.653 0.739 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.2 Cg_endo -69.74 164.18 79.86 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.38 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -106.18 -7.13 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 p -169.74 146.99 3.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.42 17.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 68' ' ' ILE . 39.1 mt -131.77 142.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 ' N ' HG21 ' A' ' 67' ' ' ILE . 61.4 mt -110.7 117.09 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.51 152.83 11.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.41 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.71 126.12 12.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.88 22.39 69.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -127.85 172.76 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 74' ' ' VAL . 18.3 mt -131.72 135.02 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' N ' HG22 ' A' ' 73' ' ' ILE . 23.5 t -111.51 137.91 42.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -108.01 107.32 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.81 150.51 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.0 m -102.76 96.19 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.2 t -95.9 96.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.4 mtm -93.02 135.32 34.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -114.84 109.93 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.33 156.71 20.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 118.7 5.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -139.4 152.85 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.45 105.66 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.67 108.56 10.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 88' ' ' ASN . 5.2 t0 -105.25 92.12 5.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -41.6 4.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.291 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.484 ' ND2' ' OD1' ' A' ' 86' ' ' ASP . 1.4 p-10 -60.5 -42.24 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.79 -174.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 154.36 20.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.8 p -126.39 119.37 27.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -120.3 95.89 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.641 ' CD2' ' N ' ' A' ' 94' ' ' LYS . 4.5 t60 -160.63 163.67 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.641 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 15.0 ttpt -162.84 161.49 26.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.63 116.95 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -117.33 144.89 44.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.91 123.97 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -100.17 138.04 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.2 p -142.32 140.45 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.517 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 2.5 tt -154.35 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -57.83 149.91 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.72 136.13 23.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.75 18.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.96 31.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ILE . 7.8 t-20 -96.8 -57.9 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.8 tt 34.44 52.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -43.41 -57.15 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.442 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 16.0 m-20 -113.07 129.07 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mtp -69.39 -52.84 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -54.24 -53.55 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -46.68 -44.72 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 108' ' ' ASP . 17.1 t -50.58 -54.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CZ3' HG21 ' A' ' 100' ' ' ILE . 98.4 m95 -56.77 -41.82 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -59.81 -54.32 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.84 -33.99 76.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 130.25 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -89.38 153.95 48.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.1 9.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -95.98 -20.83 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -106.59 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.94 135.48 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.7 132.22 48.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 159.37 27.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -134.67 123.3 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.1 113.21 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 tt -127.89 141.38 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -111.79 126.06 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 28.1 m -76.18 122.53 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.3 t -102.61 115.99 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 7.2 m-85 -89.65 107.06 18.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.48 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.516 ' SD ' ' CD2' ' A' ' 29' ' ' PHE . 70.8 mmm -136.34 133.37 19.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 103.68 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -89.98 66.07 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -112.33 130.35 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -122.12 -39.99 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -112.91 115.82 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -38.91 104.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.02 84.26 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 44.85 41.93 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -97.5 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.9 p 44.15 43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 93.69 -158.8 23.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 114.08 3.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 t -82.67 128.09 34.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.2 p -123.28 23.35 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -100.5 -56.91 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 p 38.36 47.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.81 -147.53 8.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 p 37.88 49.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -67.29 -58.09 5.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.64 127.06 3.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 mtp -105.39 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.31 171.32 14.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -136.39 109.48 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -116.65 167.9 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -129.93 68.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.1 124.44 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 43' ' ' SER . 5.2 tp -46.69 -40.86 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 9.7 mt -84.11 149.11 26.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.4 t -109.41 105.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -77.82 151.63 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -139.54 118.24 8.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.77 137.28 43.03 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.3 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -77.64 -75.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 8.2 p-10 -143.96 152.11 40.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' CZ ' ' A' ' 25' ' ' PHE . 24.7 tp -91.68 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -95.15 125.49 39.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 8.8 m-85 -102.84 140.34 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -104.51 115.97 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.59 -162.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.9 91.71 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.325 0.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -93.32 32.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.0 p -99.69 -23.03 15.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -130.4 175.61 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -56.38 123.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.7 135.47 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -117.55 116.19 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -119.21 145.63 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -76.5 136.5 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 14.8 mt -129.26 105.21 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -88.91 159.23 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 29.1 t-20 -134.93 98.93 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -28.79 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 95.5 p -61.58 163.12 7.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.08 27.75 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.8 ptp180 -151.07 147.86 27.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -50.81 149.41 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -143.82 116.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -72.13 136.45 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -131.27 141.13 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' CG ' ' CE2' ' A' ' 113' ' ' TRP . 16.6 mmtt -125.16 128.27 48.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.11 118.49 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -140.46 119.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -117.79 165.98 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.0 p -64.31 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.93 70.33 0.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.5 2.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -63.91 -20.84 66.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -103.11 -16.13 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CE1' HD21 ' A' ' 80' ' ' LEU . 6.4 m-85 -110.12 135.38 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -124.72 91.53 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.1 m -91.09 131.28 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.8 ttp85 -143.76 120.86 6.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.76 157.83 91.64 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -98.28 -4.14 35.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 p -169.97 153.83 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.08 -168.92 39.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.2 mt -121.62 144.11 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 74' ' ' VAL . 93.7 mt -110.17 105.63 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.21 150.72 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.78 112.61 3.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 39.55 6.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -144.1 -179.35 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.3 mt -134.67 134.36 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -111.61 137.83 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -108.82 102.76 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.01 137.37 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -88.38 113.29 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.6 t -100.69 119.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 15.3 mtt -102.05 136.6 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.486 HD21 ' CE1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -133.41 112.11 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.426 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.64 142.81 96.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 143.84 52.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -154.51 -179.49 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.11 95.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -67.99 116.66 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 109.81 38.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -32.23 19.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.36 -50.48 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -92.72 132.54 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 91' ' ' SER . 18.2 pttm -62.21 -50.19 72.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 88.7 p -165.14 146.5 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.64 -43.45 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -71.8 179.56 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -148.9 156.8 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -131.53 114.36 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.79 151.94 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.81 130.18 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -99.72 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -143.38 141.48 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.44 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 2.4 tt -159.77 142.68 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.86 147.95 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.15 139.34 22.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.32 24.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -20.02 35.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -113.8 15.2 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tp -37.79 112.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -125.85 -73.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -87.3 107.82 18.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.6 mtp -57.6 -44.25 85.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 114' ' ' LYS . 8.4 pt-20 -57.88 -55.61 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.17 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.44 -57.06 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CE2' ' CG ' ' A' ' 50' ' ' LYS . 86.4 m95 -52.26 -43.87 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 110' ' ' GLU . 4.1 mptt -61.18 -47.66 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.92 -31.56 72.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.43 132.56 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -93.14 153.11 41.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.57 18.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.47 -25.04 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -107.56 -24.55 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.48 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.8 mtm -102.89 142.05 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.59 163.51 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.6 t -135.45 129.99 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -87.81 118.43 27.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.2 tt -128.12 129.59 46.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -97.94 123.42 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.06 117.49 20.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.62 118.65 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.31 105.63 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.54 158.61 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mtp -113.82 153.07 46.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 123.26 9.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.715 2.277 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -99.81 173.78 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -102.53 138.04 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -48.67 116.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.23 22.62 9.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -98.75 144.62 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 140' ' ' ASN . 7.2 tt -94.12 -59.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 139' ' ' LEU . 9.2 t-20 -36.25 149.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.1 -68.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -142.55 132.96 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.66 -76.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.17 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -57.09 120.76 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -104.53 158.09 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 7.6 m -35.99 131.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -111.82 42.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.69 124.29 3.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -129.65 176.71 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -135.28 125.75 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.85 -151.38 11.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 tpt -149.37 114.39 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.41 130.75 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 131.54 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -116.54 109.93 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.82 46.56 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -137.71 172.51 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tp -106.8 14.93 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 mt -131.39 163.64 27.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.6 t -120.24 106.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.98 147.56 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -140.65 119.2 8.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 54.3 Cg_endo -69.71 136.75 40.26 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.344 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -32.04 19.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -73.66 -74.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -143.86 148.96 36.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 24.4 tp -92.83 117.63 30.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -93.09 148.32 22.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -122.28 127.22 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -92.14 118.93 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.26 -158.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 177.0 30.24 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.301 0.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 28.7 m-85 -101.9 15.09 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -83.2 -41.39 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -116.29 -179.53 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.67 130.55 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.3 151.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -123.12 128.54 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -131.56 124.34 29.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -92.18 120.41 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -105.87 110.7 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' HD23 ' A' ' 37' ' ' LEU . 34.9 mttt -78.03 145.2 36.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.8 mt -143.06 105.65 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.64 161.87 19.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -128.58 98.85 24.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.47 5.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -60.35 156.95 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.54 36.8 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -156.6 140.18 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 79.8 mttt -42.31 133.15 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.65 127.73 70.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.519 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 72.3 m -79.8 159.2 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.53 135.76 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 14.0 mmtt -121.65 114.05 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.13 112.57 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -142.95 129.94 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -134.29 167.1 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.6 p -58.51 -23.08 57.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 58' ' ' ARG . . . -108.38 80.17 1.1 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.1 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -88.4 -43.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 55' ' ' ALA . 36.1 mtt85 -62.91 -45.52 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -101.41 128.02 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.71 99.65 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' CG1' ' CG1' ' A' ' 76' ' ' VAL . 67.7 t -94.92 138.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 8.8 ttt180 -149.88 122.46 4.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.72 143.75 74.66 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.357 -0.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.32 -11.83 60.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -174.16 159.54 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.04 -157.44 27.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 16.6 mt -128.25 132.27 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.44 ' CG2' HG21 ' A' ' 74' ' ' VAL . 36.0 mt -101.32 120.36 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -48.87 155.9 0.98 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.7 39.8 85.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -136.16 178.09 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 74' ' ' VAL . 19.7 mt -130.41 134.73 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.44 HG21 ' CG2' ' A' ' 68' ' ' ILE . 22.2 t -116.7 142.23 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -110.35 105.14 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' CG1' ' CG1' ' A' ' 61' ' ' VAL . 84.6 t -89.88 141.97 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.8 m -95.36 111.65 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.449 ' CG1' HG23 ' A' ' 61' ' ' VAL . 21.4 t -110.07 102.9 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.6 mtm -88.48 148.31 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.6 tm? -133.47 112.44 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.5 ' N ' ' OE1' ' A' ' 81' ' ' GLN . 2.0 mp0 -63.02 146.83 95.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.75 135.33 30.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -150.45 161.59 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.15 105.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -74.32 111.7 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -106.77 92.25 7.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.03 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -42.41 -39.9 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -104.97 118.3 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -51.66 133.96 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -54.62 143.81 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -116.2 25.13 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -110.48 127.3 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -116.09 148.29 40.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -111.89 123.81 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -120.22 148.45 43.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -134.43 135.22 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -105.47 140.65 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.8 p -140.49 134.45 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 121' ' ' LEU . 2.3 tt -151.39 139.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -45.9 162.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -119.44 127.05 26.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 155.32 65.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.15 54.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.6 tt -83.47 132.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.1 m -125.42 -66.24 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.53 92.77 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.411 ' CE ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 tpt -45.21 -33.79 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.7 pp20? -64.53 -55.53 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.475 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -49.88 -51.14 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.6 t -42.11 -59.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.519 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 88.5 m95 -53.24 -42.21 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -60.51 -56.44 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.67 -37.5 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.55 131.83 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -96.08 154.88 38.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.79 33.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.36 -28.97 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.94 -21.64 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.433 ' CD2' HG23 ' A' ' 100' ' ' ILE . 12.1 mt -71.1 126.38 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.77 144.5 25.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -131.3 167.6 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.4 p -143.88 136.78 27.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -98.52 107.7 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -121.22 142.74 49.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -109.41 127.55 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.25 122.68 32.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.01 123.35 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -87.36 105.62 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.93 159.16 15.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mmm -97.5 149.97 36.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 135' ' ' GLU . 53.7 Cg_endo -69.79 -2.47 10.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.46 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' PRO . 10.9 mp0 -152.96 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -145.9 126.62 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.16 124.07 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -110.97 102.09 10.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.6 tp -99.74 90.57 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.45 39.37 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -121.09 95.78 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.5 m -117.32 94.98 4.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 179.57 -100.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.434 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 140.89 43.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.387 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.2 p -166.03 144.13 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.2 p 54.44 47.74 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -173.25 124.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -151.09 163.18 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.73 44.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -153.05 154.42 34.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -116.03 -59.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.76 -51.71 0.71 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 mtt -99.88 118.54 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.21 171.22 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -106.35 100.17 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -108.09 104.21 13.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.48 37.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -146.86 150.08 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tp -83.6 -28.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -92.3 135.13 34.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.11 104.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.15 155.42 40.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.94 117.75 5.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.76 138.49 49.38 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.351 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.63 12.27 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -144.02 152.63 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.89 109.52 20.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -88.96 140.8 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 10.3 m-85 -113.17 122.11 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.38 116.44 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.86 -162.56 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.95 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.336 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 57.0 m-85 -98.47 22.5 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -76.76 -12.28 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 3.1 t70 -150.18 -176.73 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.76 118.84 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -99.05 122.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -98.54 110.31 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 90.1 m -104.19 134.79 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -93.44 122.32 35.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -103.5 111.75 24.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -88.04 131.12 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.09 104.62 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.04 154.47 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -133.62 98.86 14.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.36 9.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -54.27 173.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.11 36.68 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 18.9 ptp180 -154.52 150.53 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.99 140.48 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.6 t -135.12 132.45 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.5 m -87.1 132.79 33.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -129.22 146.78 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 40.0 mttt -128.93 129.14 45.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -93.44 130.06 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -144.26 126.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -138.67 149.23 44.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.1 p -58.85 -11.33 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.28 90.53 3.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.068 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -46.71 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -96.45 -47.8 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -52.41 -34.32 47.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 5.4 m-85 -115.9 125.21 52.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -117.57 109.73 17.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.36 125.37 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 29.5 mtp180 -142.69 123.39 8.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.82 159.35 90.0 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.345 0.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -88.48 -9.9 50.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.8 p -170.9 150.77 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.34 -168.81 40.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.61 139.82 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.91 128.74 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.97 150.63 94.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.78 120.5 7.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 30.51 44.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.1 m -137.63 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 74' ' ' VAL . 61.8 mt -131.69 136.16 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 73' ' ' ILE . 54.9 t -113.99 132.4 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.401 ' N ' HG13 ' A' ' 74' ' ' VAL . 7.4 m -104.45 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -89.52 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -97.9 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.69 92.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -80.77 150.47 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 4.9 tt -132.19 121.31 23.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.429 ' N ' ' NE2' ' A' ' 81' ' ' GLN . 0.2 OUTLIER -64.11 143.01 98.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 52.8 Cg_endo -69.79 127.37 14.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' TYR . 12.8 p90 -157.4 131.11 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -46.85 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' PHE . 2.9 t80 -90.65 106.79 18.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.69 123.15 67.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -41.22 4.53 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.752 2.302 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -54.03 -45.42 71.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.33 142.51 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -64.56 176.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.2 p -124.87 135.62 53.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -107.82 70.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' CE1' ' HB2' ' A' ' 128' ' ' CYS . 0.2 OUTLIER -154.08 158.45 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -151.27 158.99 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -129.41 128.23 42.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.4 mtm -129.08 144.24 51.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.9 t -132.52 129.98 59.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -99.38 149.84 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 p -152.6 136.53 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.42 HG23 ' CZ3' ' A' ' 113' ' ' TRP . 4.0 tt -159.76 132.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 90.1 m-85 -46.16 141.79 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.49 136.8 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.73 59.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.31 33.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -102.93 7.55 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -41.16 126.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 m -130.54 -53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.78 115.59 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.7 mmm -55.85 -56.13 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -53.12 -31.43 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.18 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.56 -56.9 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.465 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 98.0 m95 -57.87 -37.96 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -62.69 -55.88 22.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -61.21 -38.28 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.46 132.01 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -90.78 154.09 45.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.17 -18.89 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -113.11 -21.25 11.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.07 132.01 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -95.23 150.37 20.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -134.63 158.37 44.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.4 m -135.44 118.52 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -88.05 112.45 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.94 142.12 49.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -110.51 113.0 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' HIS . 54.1 m -77.09 130.24 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.3 t -115.74 145.04 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -104.34 106.51 17.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.3 164.38 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.8 mtp -135.52 152.41 76.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.78 5.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -38.95 -48.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.95 175.86 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -53.06 91.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.05 140.94 42.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -121.99 164.12 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -134.24 98.8 4.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -113.7 88.35 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -137.57 164.89 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.9 p -124.46 77.21 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.94 -160.29 28.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.8 15.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.731 2.288 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -71.74 87.04 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.7 p -51.67 129.89 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -125.29 81.83 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -160.06 132.47 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.69 146.02 7.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -123.53 127.59 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -59.08 112.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.42 129.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.62 163.82 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.78 165.8 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -120.92 175.42 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -90.07 112.46 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -120.36 32.98 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -151.68 -178.41 6.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 tp -115.18 -23.94 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -96.34 126.3 41.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.11 98.6 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.86 160.25 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 13.9 t70 -157.02 119.06 2.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.79 136.57 39.53 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.339 0.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -69.35 -75.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -143.79 151.52 40.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD23 ' CE1' ' A' ' 25' ' ' PHE . 25.0 tp -94.43 102.81 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -75.94 152.18 37.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' ' 23' ' ' LEU . 35.0 m-85 -126.39 105.14 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -76.52 126.52 31.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.56 -158.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.92 85.17 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 0.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -92.36 4.55 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -101.81 3.9 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.95 172.03 13.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.17 125.08 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 34' ' ' THR . 47.5 t -101.28 151.73 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 ' N ' HG11 ' A' ' 33' ' ' VAL . 7.2 m -132.74 111.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -111.46 128.96 56.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -94.92 120.54 35.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -99.35 107.89 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -80.06 140.44 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -135.21 104.97 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.44 144.45 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -119.58 98.79 49.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.43 9.18 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.3 p -59.77 174.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.87 25.62 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -141.45 146.88 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -53.86 143.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.61 118.5 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.9 m -77.97 135.31 37.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -131.98 152.86 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 20.0 mtpt -131.36 128.61 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.07 117.25 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 137.52 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.2 155.3 46.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.36 88.8 5.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.709 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -51.85 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -53.84 -45.19 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.48 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -105.18 132.05 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -123.67 112.36 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.1 t -102.15 125.45 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 38.6 ttm180 -144.09 121.08 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.73 150.61 90.35 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.362 -0.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -72.41 -12.32 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.3 p -173.54 175.02 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.36 -160.36 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mt -127.75 137.38 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.3 mt -100.77 120.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.06 148.26 14.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 108.83 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.32 33.18 9.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -137.78 -177.31 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.8 mt -134.28 133.2 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.6 136.87 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -109.03 111.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.19 152.99 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.8 m -105.61 109.62 21.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.6 96.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.7 mtm -81.72 128.92 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 59' ' ' TYR . 1.6 tm? -118.94 113.1 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' N ' HD21 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.98 143.3 97.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 128.25 15.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -134.26 173.87 11.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 16.7 p-10 -67.39 87.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -60.54 102.81 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -112.52 92.18 18.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -31.67 19.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.39 126.4 39.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -77.35 121.86 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -90.55 -178.8 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.66 86.73 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.457 ' HD1' ' N ' ' A' ' 94' ' ' LYS . 8.0 t-80 -132.13 139.26 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -146.13 151.26 37.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.464 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.8 t80 -114.69 141.03 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.02 124.35 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -120.36 123.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -99.01 150.55 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.3 p -149.8 136.79 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -156.29 140.15 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.58 148.66 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.72 136.08 19.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 157.37 60.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.03 43.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.4 tt -68.76 119.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 -44.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.11 122.63 38.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.11 -51.76 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 111' ' ' ALA . 14.2 pt-20 -53.58 -47.11 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . -51.02 -43.46 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.41 -56.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.566 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 60.0 m95 -58.67 -27.07 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -73.97 -58.35 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.73 129.16 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -93.01 153.12 41.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.87 22.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.614 2.209 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.93 -13.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -113.47 -13.5 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 mt -78.74 138.15 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 122' ' ' MET . 3.6 mpp? -104.49 134.41 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -119.44 164.69 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.1 p -142.12 128.42 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -86.65 122.41 30.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -138.86 136.0 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.21 137.17 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.1 m -97.99 115.71 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.59 136.65 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -101.56 114.76 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.57 143.62 29.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.0 tpt -92.63 133.81 28.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.715 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 134' ' ' ASN . 1.2 m-80 -69.06 -23.07 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -118.44 35.16 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.08 143.55 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.65 111.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.01 105.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 pp -39.37 155.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -119.88 125.31 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -120.24 115.4 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -167.95 134.63 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -174.75 167.95 40.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -175.23 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.307 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 94.8 p -131.04 -45.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.2 p -99.56 -46.11 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -115.23 115.2 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -124.24 144.28 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.28 -152.21 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -84.61 41.86 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.8 p -89.44 137.47 32.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.47 91.89 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.3 mmm -69.57 105.55 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 115.35 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -102.16 125.39 48.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -85.32 99.7 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.63 13.11 14.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -122.86 151.75 41.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -80.44 -28.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -86.18 132.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.1 99.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.2 mp -74.18 149.28 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -142.46 118.92 6.95 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.79 136.99 41.61 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.37 0.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -31.01 21.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.8 -74.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 17.4 p30 -143.94 150.86 39.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.5 tp -88.95 101.74 14.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -81.25 134.31 35.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -107.83 124.18 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 1.1 tmmm? -89.0 117.64 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.7 -162.3 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.33 71.34 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.333 0.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 24.7 m-85 -100.54 10.96 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -79.69 12.13 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -166.43 175.06 8.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.77 118.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.0 t -96.44 131.08 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -107.44 109.06 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.4 m -116.01 125.51 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 24.9 p30 -95.94 139.66 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 38' ' ' LYS . 1.1 tt -115.11 113.12 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' HD22 ' A' ' 37' ' ' LEU . 50.7 mttt -81.06 132.92 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 36.7 mt -127.4 104.27 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.94 145.74 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -120.88 98.84 47.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.23 4.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.7 p -53.15 152.91 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -94.5 29.41 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.429 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.5 ptm180 -151.02 155.57 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.72 160.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.1 t -154.57 120.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.2 m -78.54 147.08 33.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 68' ' ' ILE . 24.9 p90 -149.66 140.24 22.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HE3' ' CD2' ' A' ' 113' ' ' TRP . 3.4 mtmp? -122.46 125.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.35 113.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -140.22 127.76 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -126.33 162.23 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -77.38 -11.13 59.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.26 58.72 3.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.562 0.696 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.53 37.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.203 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -21.63 33.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -119.9 21.96 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -144.87 133.17 21.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 m -127.19 94.11 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.09 131.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.0 mtp180 -148.02 121.58 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.8 Cg_endo -69.74 168.34 67.77 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.339 -0.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.78 -0.52 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.4 p -171.65 145.98 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.73 36.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt -126.73 138.38 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 49' ' ' PHE . 68.9 mt -101.58 110.66 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.39 148.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.82 128.34 15.84 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.83 26.91 65.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -135.35 169.5 17.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.23 147.06 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.7 t -124.47 141.6 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.44 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 6.6 m -117.38 103.17 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.03 143.01 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.7 m -90.37 101.3 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.6 t -99.84 103.98 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -91.24 135.66 33.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -122.82 113.62 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.465 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.2 mp0 -61.71 142.78 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 125.38 12.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -147.77 154.8 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.14 92.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -84.43 129.2 34.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 122.82 30.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.64 -39.39 88.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -107.89 97.6 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -100.25 123.04 44.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -83.9 -74.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -165.39 142.21 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 19.3 p-80 -174.89 118.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -156.47 149.07 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.473 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.6 t80 -118.01 137.26 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.98 119.76 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.0 126.71 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -104.18 151.64 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.5 p -151.29 144.92 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 tt -156.59 144.1 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -63.15 134.27 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.35 137.26 22.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.19 25.21 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.05 27.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 106' ' ' ILE . 4.9 p30 -96.01 -50.03 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 106' ' ' ILE . 3.4 tt 33.64 51.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 t -40.7 -60.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.06 143.8 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -49.54 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.21 -52.57 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.58 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.27 -47.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CD2' ' HE3' ' A' ' 50' ' ' LYS . 75.1 m95 -66.76 -38.38 86.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -62.0 -54.28 43.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -62.34 -36.74 83.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.16 119.46 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -86.28 154.4 57.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -2.65 10.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -96.41 -25.66 15.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -103.84 -20.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.21 133.9 48.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.7 mtm -107.18 122.92 47.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -112.63 171.77 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.8 t -144.04 123.35 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -86.28 119.48 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.2 tt -130.94 134.42 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -106.92 133.71 51.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.17 139.65 30.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.477 ' CG1' ' OE1' ' A' ' 131' ' ' GLU . 3.1 t -118.49 146.41 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 32.9 m-85 -112.96 111.6 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.477 ' OE1' ' CG1' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -115.88 159.73 21.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.413 ' HE3' ' CD2' ' A' ' 29' ' ' PHE . 4.3 mmt -101.38 156.0 35.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -85.13 110.14 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -81.61 134.17 35.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -156.48 179.93 8.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.98 24.36 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 125.47 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.04 -178.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.24 150.14 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -141.86 129.44 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.7 p -153.58 126.5 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.39 72.5 0.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.68 21.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -48.87 -56.61 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.5 m -47.09 -66.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -172.13 109.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -55.86 -50.51 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.53 158.86 17.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -126.93 90.98 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -117.2 175.98 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -176.26 46.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.3 128.61 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.78 130.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -76.51 105.19 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -89.96 119.39 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.37 79.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -144.0 153.38 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -105.21 14.93 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.0 mt -132.18 131.18 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -92.54 98.57 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.88 150.97 45.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -144.44 118.89 5.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.855 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 137.26 42.8 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.338 -0.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.62 14.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 m -70.19 -75.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.4 p-10 -143.29 150.11 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -89.66 99.49 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 148.7 30.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -120.44 125.93 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -85.59 116.77 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.53 -162.67 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.78 17.52 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.326 0.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CD2' ' CE ' ' A' ' 132' ' ' MET . 20.2 m-85 -107.32 10.6 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.8 p -71.11 -21.6 62.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.28 -179.6 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.91 129.89 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.0 t -98.74 155.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -124.78 113.17 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -122.16 119.54 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -91.62 124.33 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -102.86 105.42 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -79.71 136.23 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -131.09 103.68 6.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -86.81 155.84 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -129.7 98.71 21.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -24.69 29.63 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -69.52 170.68 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.5 24.8 12.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.68 157.49 44.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.52 139.15 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.23 124.55 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 7.6 m -79.34 152.43 30.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -152.14 150.48 29.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 11.7 mtpt -134.47 119.88 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -81.27 128.24 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -149.88 119.71 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.528 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 9.1 t -119.7 162.17 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 p -52.61 -55.65 20.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . . . -74.49 113.9 28.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.19 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' TYR . 32.8 mmt180 -94.96 -54.14 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 6.8 tpp85 -40.61 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CE1' ' CE1' ' A' ' 93' ' ' HIS . 4.3 m-85 -123.6 126.59 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.53 109.82 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG1' HG13 ' A' ' 76' ' ' VAL . 45.6 t -104.23 128.19 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.3 mtt-85 -148.29 124.19 5.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.72 146.26 81.61 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.39 -0.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.6 p-10 -79.69 -5.91 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -167.49 163.23 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -178.89 36.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.47 140.92 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.0 mt -104.58 112.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -46.4 151.39 1.0 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.02 4.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.09 53.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -128.41 -179.11 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 74' ' ' VAL . 59.2 mt -131.39 136.68 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' HG22 ' A' ' 73' ' ' ILE . 20.6 t -112.07 136.94 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -109.27 114.64 28.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG13 ' CG1' ' A' ' 61' ' ' VAL . 49.0 t -98.21 137.35 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -92.86 106.04 18.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.44 100.54 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 mtm -88.36 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 1.8 tt -117.58 114.18 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.427 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.8 mp0 -58.41 142.84 81.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -143.51 154.68 43.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.83 93.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 18.8 t80 -53.69 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.57 92.12 43.21 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -18.45 36.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -81.29 -40.69 23.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -101.03 160.48 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt 43.3 50.3 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.0 p -82.6 52.56 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.85 61.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.439 ' CE1' ' CE1' ' A' ' 59' ' ' TYR . 2.3 t-160 -117.85 111.05 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -123.16 171.68 9.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.1 t80 -146.15 127.2 14.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.7 mtm -131.53 152.26 50.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.05 147.97 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -110.23 146.51 35.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 p -145.84 141.01 27.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 tt -159.11 140.71 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.56 135.85 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.31 136.49 21.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.55 18.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ILE . 85.0 m-20 -109.68 -67.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 106' ' ' ILE . 5.3 tt 37.6 44.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.4 m -54.74 -34.55 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -123.8 93.14 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.3 mtp -43.93 -42.53 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.38 -55.01 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.45 -49.19 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.3 -54.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 79.8 m95 -53.96 -42.09 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -53.06 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.3 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.64 127.56 31.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -88.47 154.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -5.35 15.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.83 -17.89 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -111.36 -21.15 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.79 117.13 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.5 mtm -90.75 161.36 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.21 174.17 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.7 m -140.92 121.41 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -83.18 115.25 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 127' ' ' ARG . 7.5 tt -133.92 155.13 50.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.566 ' N ' ' CD2' ' A' ' 126' ' ' LEU . 35.6 ttp180 -126.99 116.51 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.99 124.33 27.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.36 137.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -99.61 105.45 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.53 162.29 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mmt -114.17 151.25 44.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.49 5.71 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.7 m120 68.14 50.93 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -109.83 -48.21 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -103.66 136.27 43.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -50.29 164.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -62.96 146.42 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 tp -100.03 70.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 140' ' ' ASN . 18.3 t-20 -101.67 100.95 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.03 166.19 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.0 p -160.51 116.28 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -132.34 160.47 23.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.39 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.1 t -143.52 159.19 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.3 t -131.38 115.77 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -46.59 161.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -124.53 128.16 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.26 -163.6 38.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -147.6 164.23 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -142.84 177.07 8.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.93 130.08 2.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 ttt -55.19 148.55 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.44 116.64 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -70.55 120.06 15.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -174.44 164.45 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -155.23 109.18 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -124.28 164.15 20.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.525 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -88.48 -31.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 14' ' ' ILE . 73.9 mt -91.42 140.31 29.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.15 99.95 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 39' ' ' LEU . 1.9 mm? -66.65 134.03 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.489 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 15.3 t70 -134.35 117.95 13.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.73 136.69 39.99 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.354 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' CA ' ' O ' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.74 -22.01 32.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -75.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 3.4 p-10 -141.78 144.72 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 19' ' ' PRO . 44.3 tp -95.0 106.07 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -82.23 140.18 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 65.0 m-85 -112.7 126.63 55.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 114.29 22.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.81 -161.87 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 38.68 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.388 0.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 45.6 m-85 -102.68 3.66 37.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -70.77 -19.91 62.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -132.89 177.87 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.0 129.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.02 157.2 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -132.46 113.48 13.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.532 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 3.9 m -123.2 121.85 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 3.8 p30 -94.36 134.46 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 18' ' ' ASP . 1.7 tt -118.21 115.46 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -84.66 142.84 29.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 17' ' ' LEU . 58.1 mt -136.6 106.38 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -85.12 151.89 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -129.41 102.53 18.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -32.94 17.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.0 p -61.31 162.17 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.46 23.17 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.0 ptm180 -138.62 151.34 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.65 152.11 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 t -140.84 131.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -88.05 131.48 34.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.9 p90 -133.64 153.82 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -137.79 116.33 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.1 130.71 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -159.4 134.68 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' ALA . 7.2 t -135.3 150.05 49.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.8 p -40.58 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' THR . . . -106.41 87.87 2.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -35.06 13.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -94.89 -44.11 7.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 13.2 ttm180 -56.7 -30.94 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CZ ' HD13 ' A' ' 80' ' ' LEU . 5.1 m-85 -115.42 136.8 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.9 t -121.46 91.86 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.46 134.11 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 60.5 ttt180 -151.59 123.07 3.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.1 Cg_endo -69.73 155.28 93.25 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -90.58 -0.6 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -173.04 154.82 2.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 164.86 -178.47 39.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.6 mt -109.01 137.1 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 49' ' ' PHE . 6.6 mt -99.43 109.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.8 151.19 1.65 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.9 Cg_endo -69.73 126.0 12.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.398 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.15 42.12 68.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m -145.2 162.13 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.08 129.51 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.59 136.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 3.4 m -112.44 114.94 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -95.8 134.82 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -80.64 96.52 6.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 t -96.19 93.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -86.3 149.5 25.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 2.4 tt -124.6 116.36 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.76 142.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 138.01 36.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.473 ' CE2' ' HD3' ' A' ' 58' ' ' ARG . 11.7 p90 -154.79 164.02 39.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.7 p-10 -65.13 85.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -50.89 107.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -101.67 115.18 65.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -15.81 37.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -83.95 -25.77 29.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -99.46 63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -95.67 161.99 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t 54.64 39.67 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -120.62 38.74 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.697 ' CE1' ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -173.2 163.77 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -160.05 175.02 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -138.46 117.21 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 12.5 mtm -120.99 125.24 46.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 136.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -100.73 141.33 33.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.2 p -144.17 140.3 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 5.7 tt -153.45 147.01 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.525 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 18.1 m-85 -65.32 141.26 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.63 28.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 159.15 54.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.82 29.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -124.96 18.32 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -39.59 127.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -119.39 -61.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -124.09 119.51 29.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mtt -46.54 -52.91 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.98 -38.92 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.76 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.94 -57.43 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.453 ' CZ3' HG21 ' A' ' 100' ' ' ILE . 98.0 m95 -59.21 -37.83 78.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -63.04 -50.18 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.64 -32.72 71.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.55 136.21 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -88.82 152.63 49.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.2 30.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.42 -20.68 18.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -100.76 -21.71 15.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.93 132.76 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 57.9 mtm -102.74 156.78 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.27 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -138.87 122.17 17.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.75 112.09 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 tt -134.57 125.93 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -98.33 130.39 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 93' ' ' HIS . 48.2 m -87.72 134.4 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.5 t -117.82 129.76 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.697 ' CZ ' ' CE1' ' A' ' 93' ' ' HIS . 43.8 m-85 -87.95 109.24 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -111.15 162.19 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.6 mtp -135.13 146.31 57.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.52 0.676 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.75 148.22 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.89 137.14 58.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 136' ' ' ASN . 3.4 p-10 -116.3 152.48 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.35 15.37 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -94.43 152.01 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tp -113.11 147.61 36.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.89 145.99 35.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.83 137.35 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.4 p -120.69 166.26 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -166.9 158.07 30.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 178.34 4.62 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t -165.37 173.71 10.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.2 t -63.53 87.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -55.67 143.35 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -128.72 -54.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.13 92.94 2.15 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -77.89 128.63 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -63.01 150.61 42.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.9 125.11 38.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpp? 38.55 47.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.99 142.32 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -126.43 67.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 58.66 47.87 12.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.9 36.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -83.51 120.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tp -66.92 -37.92 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -90.76 131.33 36.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.6 t -90.77 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.05 156.67 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -148.79 118.4 4.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 136.72 40.26 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 0.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -34.29 14.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -71.83 -75.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.11 151.83 40.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 31.0 tp -95.62 101.39 13.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -85.9 138.5 31.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 15.8 m-85 -111.44 129.7 55.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -90.96 119.31 31.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.94 -161.13 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.93 88.92 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.349 0.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 66.9 m-85 -93.24 12.75 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -79.93 12.08 2.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -167.12 170.25 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.8 t -55.5 121.68 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.27 142.64 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -115.06 129.42 56.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.428 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 54.8 m -130.36 123.03 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 122.62 33.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -104.72 108.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -79.74 129.01 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -120.97 103.69 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -85.93 137.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -117.03 98.86 52.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -34.97 13.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -58.02 159.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -106.85 42.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 146.44 15.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -47.36 140.5 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.5 t -140.82 122.74 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.8 m -79.72 157.05 27.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -156.53 136.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 12.1 mtmt -119.68 123.22 43.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.82 106.07 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -129.0 129.45 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.4 t -141.2 163.64 32.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 p -66.88 -5.63 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.8 83.16 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.698 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -95.92 -46.31 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -54.26 -37.94 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -112.4 131.52 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.1 t -122.54 92.04 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG1' HG12 ' A' ' 76' ' ' VAL . 38.3 t -87.12 130.87 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 2.4 mmt180 -147.01 121.84 5.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.5 Cg_endo -69.78 152.61 92.51 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.367 0.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -84.95 -4.28 59.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -172.08 172.83 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.81 -169.13 31.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -122.04 140.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.1 mt -102.04 117.02 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.2 153.66 1.62 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 111.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.52 38.61 12.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 m -139.75 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 74' ' ' VAL . 85.4 mt -121.53 135.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' N ' HG21 ' A' ' 73' ' ' ILE . 24.6 t -111.34 136.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -107.34 104.13 13.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG12 ' CG1' ' A' ' 61' ' ' VAL . 46.6 t -87.51 136.94 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -96.6 107.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.16 94.18 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -79.64 98.05 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -88.39 116.02 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' N ' HD21 ' A' ' 80' ' ' LEU . 22.3 mm-40 -65.56 157.18 79.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.09 67.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.2 159.8 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.63 103.29 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -65.83 112.47 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.96 129.46 24.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.642 0.734 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.43 10.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 88' ' ' ASN . 14.2 t30 -98.61 27.91 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -41.8 -32.24 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' OE2' ' A' ' 89' ' ' GLU . 32.3 tttm 33.74 45.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -100.18 -176.16 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -124.83 41.35 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -75.1 137.36 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -145.09 172.74 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -145.52 117.25 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 20.5 mtm -121.78 138.01 54.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.95 129.42 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' HD21 ' A' ' 121' ' ' LEU . 8.3 tt0 -99.71 147.32 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.3 p -150.31 144.89 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 tt -159.33 137.83 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -48.54 148.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.88 133.34 21.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 159.38 53.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.12 3.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -86.93 14.48 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.8 tt -39.28 103.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 t -91.05 -70.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.73 126.52 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -16.46 63.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -91.24 -29.19 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.97 85.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.9 t -52.84 -46.23 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.5 m95 -68.19 -37.67 81.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -64.01 -59.22 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -58.65 -39.66 81.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.3 135.2 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -96.13 155.33 38.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -2.72 10.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.59 -11.67 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.74 -10.21 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.453 HD21 ' NE2' ' A' ' 98' ' ' GLN . 14.3 mt -76.59 131.89 39.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -104.39 121.65 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 124' ' ' SER . 8.5 t70 -119.1 166.07 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 3.6 m -141.93 147.26 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -100.46 112.49 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 127' ' ' ARG . 6.4 tt -127.8 129.36 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.428 ' N ' HD22 ' A' ' 126' ' ' LEU . 7.4 ptm180 -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.56 117.78 20.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.04 145.1 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 8.8 m-85 -111.85 114.15 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.44 162.53 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 80.1 mmm -108.92 152.8 42.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -11.85 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.77 132.46 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 159.72 41.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -71.58 116.32 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.96 161.46 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -103.74 149.33 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.38 -57.55 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -143.99 134.91 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -123.8 111.99 16.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.2 t -86.27 100.16 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -112.35 151.03 18.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 145' ' ' SER . 53.7 Cg_endo -69.72 -14.64 36.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 144' ' ' PRO . 64.3 p -34.96 140.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.5 t -71.59 -43.34 66.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -149.46 129.48 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -64.38 140.15 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.2 76.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -149.46 128.81 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.4 p -174.17 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.14 -126.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mmt -94.28 -24.46 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.04 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -100.63 -49.91 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -128.17 125.18 38.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -111.65 40.37 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 4.5 pt20 -98.45 165.48 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.531 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 9.0 tp -79.97 -34.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 99' ' ' THR . 12.5 mt -95.99 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -83.43 111.08 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 mp -71.28 167.28 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -153.13 117.33 2.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.29 38.01 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.36 -0.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -35.0 13.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 m -68.37 -76.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.46 155.4 43.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 tp -98.44 111.7 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -88.25 139.03 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 37.0 m-85 -112.61 114.56 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -81.06 120.98 25.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.01 -160.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 161.42 86.26 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.34 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 131' ' ' GLU . 38.1 m-85 -95.33 33.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.4 p -103.44 -34.65 8.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -120.03 177.75 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.58 124.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.81 138.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.7 m -109.97 113.22 25.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.549 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 85.8 m -116.72 119.95 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 1.6 m-20 -94.16 121.87 36.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -101.76 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -84.07 129.68 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 53.9 mt -120.74 103.55 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -86.85 154.79 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -134.43 98.69 13.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.81 37.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.2 p -75.93 172.99 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.95 32.5 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 17.1 ptp180 -153.19 141.6 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -40.71 153.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 15' ' ' LEU . 62.6 t -145.94 130.04 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 80.6 m -88.66 126.24 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -128.19 132.49 48.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 22.1 mtmt -120.39 114.84 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.43 106.09 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -109.99 118.68 37.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -141.13 141.09 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -83.94 23.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.97 63.23 55.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -73.4 -35.39 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -83.35 -56.25 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 5.5 m-85 -97.89 141.45 30.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 m -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.2 t -88.97 129.47 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 7.4 tpt180 -152.06 121.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 156.22 92.96 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.323 0.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -67.97 -25.86 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 p -171.87 174.26 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.27 -157.22 29.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.4 mt -122.63 142.07 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -106.01 124.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.97 151.53 55.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.18 10.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.93 33.74 65.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.6 m -137.85 170.97 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.5 133.75 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.03 134.97 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.9 m -107.02 104.55 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.67 151.13 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -98.76 98.85 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.4 95.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.03 153.45 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 25' ' ' PHE . 5.3 tt -134.77 122.71 22.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -66.24 142.08 97.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.87 24.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.37 169.51 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.84 111.1 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.86 124.32 20.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -116.94 92.15 38.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -32.27 18.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -99.47 34.36 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -134.39 134.13 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -73.35 140.47 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -102.31 136.16 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -100.85 -44.53 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.97 145.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -137.92 164.74 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.16 113.75 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.0 146.28 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -139.8 121.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.6 138.93 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 15' ' ' LEU . 36.9 p -137.94 140.43 40.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 tt -151.36 137.4 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 14' ' ' ILE . 44.8 m-85 -50.55 143.65 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.87 145.18 31.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.77 19.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -103.69 28.34 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -45.86 126.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -115.96 -61.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 111' ' ' ALA . 15.0 t0 -105.65 113.01 26.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.59 -55.83 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.92 -51.4 57.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' ' 108' ' ' ASP . . . -49.49 -45.94 47.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.54 -60.03 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.526 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 87.6 m95 -50.03 -44.19 51.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -58.51 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -55.6 -37.08 67.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.03 133.2 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.34 155.5 38.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.54 -19.65 27.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -109.07 -26.47 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.64 133.66 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.0 ptp -127.63 132.02 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.94 167.38 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 121.45 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.96 106.83 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -119.84 131.46 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.422 ' N ' HD21 ' A' ' 126' ' ' LEU . 24.7 ttm180 -105.81 120.75 42.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.2 m -78.72 132.12 36.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.77 127.93 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 46.9 m-85 -90.27 112.49 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.544 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 25.4 mt-10 -100.97 148.08 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 ttm -131.15 128.95 22.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 98.29 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -141.42 -176.73 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -88.32 111.71 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.31 151.7 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.62 175.2 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -81.18 99.0 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 tt -103.1 108.52 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -156.45 129.66 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -129.76 87.27 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.1 p -129.11 105.84 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.45 -157.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.42 5.33 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.9 m -161.37 163.39 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.1 p -76.33 167.5 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -133.51 -55.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -49.01 -51.19 32.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 133.02 11.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -142.18 159.16 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 p -170.85 142.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.7 -128.56 6.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mtt 42.42 42.62 2.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.23 114.74 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 39.47 42.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -109.5 41.86 1.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.01 9.76 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 155.83 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 15' ' ' LEU . 5.8 tp -84.35 -43.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 mt -83.74 125.17 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.5 t -86.41 101.84 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.68 165.73 18.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 29.5 m-20 -153.9 117.69 2.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.68 39.89 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.355 -0.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -31.97 19.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.722 2.282 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -73.79 -75.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.0 p-10 -144.12 151.6 39.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 21.0 tp -99.15 108.35 20.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -86.84 141.5 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.464 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 16.9 m-85 -111.53 122.71 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -85.45 112.64 21.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.09 -161.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.3 92.84 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.322 0.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 130' ' ' PHE . 27.1 m-85 -90.02 28.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.5 p -96.34 -36.55 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.97 174.64 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.79 121.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.53 149.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -122.51 110.07 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.43 ' CG2' HD11 ' A' ' 23' ' ' LEU . 93.8 m -116.28 121.79 43.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 11.6 m-20 -91.96 121.4 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.05 114.36 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 18' ' ' ASP . 27.9 mttt -81.74 147.03 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.04 105.9 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.64 153.93 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 50.2 t-20 -124.47 98.72 37.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.703 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.6 Cg_endo -69.78 -21.54 33.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.7 p -81.22 156.95 25.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -100.04 35.54 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.0 ptp180 -152.65 130.46 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' ARG . 47.9 mttt -36.67 147.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.51 122.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -76.15 135.9 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -133.07 131.25 40.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 10.6 mmtt -114.04 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.7 t -87.23 123.87 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -142.84 133.1 24.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 t -136.3 149.78 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 49.2 p -53.26 -28.5 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.7 73.46 1.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.93 33.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -95.74 -26.5 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 58' ' ' ARG . 22.6 ttm105 -107.28 36.1 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CE1' HD21 ' A' ' 80' ' ' LEU . 5.6 m-85 -153.2 139.38 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.96 101.42 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -104.2 132.37 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 41.3 ttt-85 -152.31 122.29 3.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.717 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.81 150.77 90.81 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.3 0.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.01 -28.59 70.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 p -172.58 156.34 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.6 -157.52 18.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.4 mt -124.07 143.63 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -108.96 112.33 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -48.11 152.18 1.54 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 122.65 9.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.21 39.03 24.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -146.72 169.06 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.1 mt -125.14 133.53 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 75' ' ' THR . 92.8 t -113.34 135.06 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 74' ' ' VAL . 11.6 m -105.51 103.67 13.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.17 137.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 m -86.52 120.91 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.92 98.84 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -90.28 122.99 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -108.35 113.69 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.38 141.05 87.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.19 64.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.39 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -160.45 171.32 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.83 86.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.6 102.02 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.56 113.2 45.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.565 0.698 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.87 1.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -48.74 -47.44 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.07 127.21 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -43.9 121.3 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 p -86.94 121.25 29.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -115.99 100.32 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 128' ' ' CYS . 14.3 p-80 -171.4 150.11 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -161.91 157.36 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.11 121.14 44.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -118.61 103.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.7 t -97.41 132.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -98.76 146.65 25.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.8 p -148.55 129.24 14.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.54 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 3.2 tt -141.98 140.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 35.6 m-85 -58.14 139.13 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.56 139.33 20.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.551 0.691 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.88 58.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.377 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.13 26.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -104.96 19.27 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.5 tt -41.74 123.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -122.9 -69.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 111' ' ' ALA . 10.8 m-20 -87.89 92.72 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -48.31 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 108' ' ' ASP . . . -54.25 -44.24 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.72 -53.33 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.541 ' CZ2' ' HG2' ' A' ' 50' ' ' LYS . 16.2 m95 -54.57 -41.9 70.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -64.04 -55.97 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -56.75 -39.01 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.71 123.29 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -86.81 155.29 55.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.22 29.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.31 -23.46 51.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -103.48 -26.8 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.58 123.0 18.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.3 mtm -98.39 148.98 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 175.71 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -139.03 134.09 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -93.91 106.85 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.44 HD21 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -122.88 135.76 54.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.44 ' N ' HD21 ' A' ' 126' ' ' LEU . 7.5 ptp180 -103.12 132.44 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 93' ' ' HIS . 84.3 m -92.02 131.21 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.6 t -114.29 114.22 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.462 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 17.7 m-85 -87.51 107.67 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -107.84 164.38 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.8 mtp -120.4 154.36 56.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.43 6.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -139.44 105.36 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 62.11 51.99 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -84.79 50.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -159.44 128.02 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 140' ' ' ASN . 0.0 OUTLIER -122.88 85.86 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 139' ' ' LEU . 3.0 tt 34.09 33.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 138' ' ' LYS . 6.3 p-10 -117.4 129.58 55.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -136.01 128.35 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 74.8 m -94.98 125.46 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.22 151.23 45.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.08 32.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.4 p -159.73 163.95 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 166.21 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -54.65 110.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -89.87 -53.65 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.91 51.08 1.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -68.72 163.99 22.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -100.71 89.88 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.4 147.18 18.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ptp -130.63 97.57 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.96 150.71 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 3.0 mppt? -122.4 96.71 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -93.95 133.34 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -108.82 49.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -134.05 170.95 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 43' ' ' SER . 2.0 tp -81.05 -22.79 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 43.7 mt -94.99 177.13 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.45 113.63 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.55 151.55 36.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -149.64 116.4 3.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.43 43.79 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.332 0.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.85 15.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.7 m -72.04 -75.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -143.76 148.09 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -92.26 103.27 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.93 139.18 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 45.3 m-85 -116.22 116.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -81.71 121.92 26.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.08 -158.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.89 65.85 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.348 0.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 33.6 m-85 -99.68 11.61 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -97.06 -17.19 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 12.7 t0 -135.22 178.13 7.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.07 133.13 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 34' ' ' THR . 59.5 t -103.59 162.97 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 18.6 m -133.8 113.18 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.405 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 17.7 m -126.83 121.02 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -94.09 129.53 40.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -112.39 114.48 27.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' HD21 ' A' ' 37' ' ' LEU . 7.6 mtpm? -87.4 147.82 25.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 17' ' ' LEU . 10.7 mt -138.76 107.18 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.78 148.2 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 50.4 t30 -128.49 98.79 24.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.93 21.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 95.2 p -64.16 158.07 23.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -105.13 34.98 2.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -148.27 137.56 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -45.73 138.74 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.73 125.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.34 147.42 27.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -148.21 141.27 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -122.15 111.31 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.3 t -77.32 105.9 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -128.24 127.19 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.449 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 2.8 t -126.78 153.35 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.8 p -64.77 -20.46 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.12 73.34 1.28 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.83 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -80.5 -1.01 39.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -114.11 -15.91 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.31 132.45 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -112.25 95.31 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.6 t -97.9 132.72 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.1 ttt85 -152.43 121.92 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.72 161.15 86.65 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.36 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.27 -16.65 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 p -164.99 167.04 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.23 -166.09 35.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 68' ' ' ILE . 26.1 mt -124.03 142.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' N ' HG21 ' A' ' 67' ' ' ILE . 54.1 mt -103.13 118.11 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.41 147.86 2.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 107.24 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.8 36.66 6.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.0 m -146.35 168.49 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mt -119.59 134.2 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.93 136.46 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -110.91 104.13 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.7 t -87.8 157.02 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 m -103.69 122.95 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.41 95.21 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 mtm -89.35 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 81' ' ' GLN . 2.5 tt -100.46 121.81 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.9 mp0 -60.28 144.79 87.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.434 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.74 128.33 15.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -149.42 165.9 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 99.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.13 107.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -118.47 92.23 43.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.701 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.62 25.12 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -64.7 -35.42 80.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -71.78 131.77 43.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 110.75 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -63.28 147.39 51.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 25.55 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -111.66 157.88 19.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -146.85 163.13 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.8 t80 -125.46 126.37 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.9 mtm -133.46 134.86 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 98' ' ' GLN . 21.4 t -113.38 142.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.414 ' N ' HG11 ' A' ' 97' ' ' VAL . 3.4 tp60 -108.74 133.89 52.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.2 p -138.34 136.04 35.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.517 HG23 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -153.1 139.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CE2' HG12 ' A' ' 14' ' ' ILE . 57.3 m-85 -50.05 153.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.08 138.13 19.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 167.74 23.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.69 27.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' SER . 91.5 m-20 -107.78 13.7 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.1 tp -37.2 94.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' ASN . 2.9 m -119.33 -49.29 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -102.49 96.66 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 58.6 mmm -50.48 -56.86 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.74 -46.02 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.83 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.56 -55.5 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CZ3' HG23 ' A' ' 100' ' ' ILE . 98.9 m95 -57.28 -33.44 67.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -65.65 -55.49 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.47 -37.66 88.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 130.75 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -93.89 153.78 40.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.33 15.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.08 -21.47 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -107.0 -27.73 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 128.56 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 100' ' ' ILE . 23.7 mtm -99.67 146.23 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.74 165.12 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -131.99 116.5 17.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.44 114.89 22.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 126' ' ' LEU . 2.4 tt -143.48 131.85 22.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 22.3 ttm105 -104.07 137.64 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.7 m -83.53 135.77 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.55 121.03 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -87.55 113.56 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -105.81 147.45 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 6.5 tpt -84.99 134.25 41.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -53.96 -19.26 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -123.08 75.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -45.59 -42.19 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -149.88 134.33 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' LEU . 11.4 tttm -91.06 134.39 34.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' LYS . 15.5 mt -36.81 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -136.5 173.39 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.68 146.57 50.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 91.5 p -47.46 175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -131.3 175.28 19.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -16.21 37.4 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -97.85 96.2 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -133.12 169.35 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 p -169.4 175.41 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -159.86 129.57 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.84 84.61 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -130.21 125.95 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -155.97 154.8 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.19 107.01 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -82.21 132.1 35.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.61 167.48 22.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -144.18 122.38 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -144.55 -179.44 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -122.71 34.43 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 13.3 tt0 -80.06 138.72 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -99.61 -35.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 41' ' ' ASN . 12.0 mt -95.18 124.09 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.4 m -89.13 143.17 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.0 mp -108.75 163.74 13.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -148.34 117.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 136.81 40.69 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.315 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -33.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -68.23 -77.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -144.13 153.77 42.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 25' ' ' PHE . 27.4 tp -90.61 111.46 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' CD ' ' HB ' ' A' ' 129' ' ' VAL . 1.3 mmmm -89.76 140.17 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 14.5 m-85 -117.52 129.76 56.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -89.78 109.42 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.22 -162.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 175.2 37.44 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 23.7 m-85 -103.05 15.01 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -87.93 -5.86 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -144.46 162.64 36.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.55 119.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.43 145.03 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 126.43 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -129.0 139.93 51.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -104.21 128.87 51.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -112.87 104.19 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -75.76 135.61 40.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.4 mt -127.96 103.83 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 36.5 tt0 -88.08 145.31 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 47.7 t-20 -115.74 98.87 51.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.9 Cg_endo -69.74 -31.11 21.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -61.37 166.29 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -102.35 19.98 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -145.51 163.43 34.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 24.0 mtpt -62.89 148.44 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -140.47 121.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -75.08 125.76 29.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.476 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.7 p90 -117.35 136.01 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 23.6 mmtt -120.17 121.93 39.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 t -97.61 112.84 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -148.88 127.19 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 t -119.98 168.48 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -77.0 -15.8 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.93 62.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.36 26.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.04 -18.87 64.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -124.44 23.74 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -146.4 123.98 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.5 m -123.53 92.17 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 62' ' ' ARG . 95.3 t -90.21 136.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.7 ttm180 -148.26 121.08 4.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.82 155.29 93.49 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.333 0.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -80.94 -19.92 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.57 161.81 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.48 -162.41 35.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 71.3 mt -115.5 144.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 49' ' ' PHE . 66.1 mt -112.19 114.18 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -48.7 151.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.67 21.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.626 2.218 . . . . 0.0 112.305 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.5 38.29 95.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -139.01 170.97 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -124.42 134.1 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 75' ' ' THR . 21.6 t -112.74 136.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.457 ' N ' HG11 ' A' ' 74' ' ' VAL . 3.0 m -105.72 99.92 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.07 137.37 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -92.36 106.89 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.3 t -99.57 94.55 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -77.7 126.94 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -115.86 113.02 22.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -66.44 156.66 85.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.66 45.75 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.04 161.23 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -77.46 110.19 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' A' ' 130' ' ' PHE . 1.7 t80 -105.36 118.08 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -118.55 117.59 34.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.58 30.53 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -52.3 -45.76 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.76 142.75 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 tttp -50.02 147.82 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.2 p -49.26 118.79 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -126.04 47.13 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -148.25 135.95 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.08 153.76 35.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -133.39 115.92 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -102.9 132.5 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.7 t -122.84 126.43 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -102.97 138.95 39.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.3 p -140.36 137.11 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.498 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 4.3 tt -157.5 136.56 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -51.31 155.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 137.75 20.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.504 0.669 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.49 53.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -44.65 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.85 29.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 tt -54.29 112.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.6 m -111.33 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.4 m-20 -96.6 88.72 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' ASP . 0.0 OUTLIER -37.73 -53.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -53.57 -52.39 59.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.443 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -45.02 -50.17 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.45 -54.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.498 ' CZ3' HG21 ' A' ' 100' ' ' ILE . 55.7 m95 -57.43 -41.25 80.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -60.27 -59.22 5.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.28 -36.94 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 133.66 6.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -91.33 151.2 42.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.75 29.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.331 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' C ' ' OE1' ' A' ' 120' ' ' GLU . 3.8 m-20 -98.53 -18.08 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -103.07 -18.3 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.83 125.95 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -91.96 129.41 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.43 157.86 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -138.86 127.57 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.2 116.25 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 67.7 ttt180 -101.13 137.33 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.8 m -100.4 123.49 44.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.467 ' HB ' ' CD ' ' A' ' 24' ' ' LYS . 20.2 t -95.12 129.03 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.468 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 27.7 m-85 -97.83 108.94 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 7.9 mt-10 -105.01 167.15 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 mtp -135.86 135.25 21.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.695 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 150.86 68.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -105.51 128.83 53.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -79.86 89.76 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -106.33 171.23 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -125.6 119.5 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.53 136.9 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 13.9 tp -84.89 109.52 18.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -110.36 109.51 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.3 109.11 6.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.8 m -163.79 176.82 9.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -56.66 -158.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.4 m -88.68 -62.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.2 t 58.34 39.78 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -67.54 99.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -158.6 157.24 31.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.66 134.55 3.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -163.25 175.97 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -127.77 177.07 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.01 122.07 2.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -142.62 132.13 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.17 126.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -89.95 29.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -76.27 136.92 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -130.17 134.63 47.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -153.73 151.04 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 15' ' ' LEU . 8.9 tp -79.73 -36.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 14' ' ' ILE . 10.0 mt -85.7 120.19 26.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.33 104.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -70.08 163.1 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.02 117.12 4.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.554 0.692 . . . . 0.0 110.846 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 54.1 Cg_endo -69.75 136.97 41.38 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.24 29.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -83.48 -76.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -144.67 154.54 42.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 57.6 tp -96.11 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -96.58 139.83 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.463 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 69.7 m-85 -117.68 105.95 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -73.09 119.45 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.33 -160.39 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.19 86.62 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.341 0.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 34.2 m-85 -91.05 2.46 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -58.81 -23.07 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 5.1 t0 -136.21 -174.72 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.99 128.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 34' ' ' THR . 42.2 t -100.2 156.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.3 m -117.12 105.81 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 82.0 m -110.93 129.37 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -103.18 120.36 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD22 ' C ' ' A' ' 37' ' ' LEU . 1.5 tt -103.46 104.11 14.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -79.28 145.54 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 16.9 mt -131.01 106.13 8.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.23 148.9 24.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -126.85 98.8 30.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.78 34.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -70.19 162.08 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.8 25.78 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.4 ptp85 -146.01 157.76 43.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -61.14 155.67 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.07 125.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.01 139.56 36.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.1 137.77 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 26.6 mtmt -127.44 121.94 32.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 t -78.05 127.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -147.08 119.61 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -136.8 167.34 21.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.8 p -63.97 -14.28 52.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.45 80.06 7.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -88.33 -58.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -38.74 -37.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CE1' HD21 ' A' ' 80' ' ' LEU . 8.4 m-85 -105.32 152.92 22.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -127.18 92.0 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.2 t -91.34 128.68 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.7 mtp180 -146.97 123.04 5.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.76 156.26 92.88 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.347 0.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.1 p -172.03 163.79 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.89 -159.89 32.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mt -129.28 144.97 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 74' ' ' VAL . 45.6 mt -108.02 123.06 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -52.71 157.23 2.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.3 Cg_endo -69.79 121.63 8.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.61 39.73 67.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.0 m -138.87 164.95 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.44 132.86 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 68' ' ' ILE . 88.4 t -113.97 127.74 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.92 109.89 21.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.36 145.12 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 m -99.93 102.78 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -105.94 91.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -82.17 111.33 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -94.13 111.65 23.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.45 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mm100 -66.32 155.89 86.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.74 134.46 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 1.1 p90 -161.74 119.13 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -57.02 81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 87' ' ' PRO . 1.4 p90 -68.81 127.71 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -115.45 103.85 53.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -25.47 28.57 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -90.5 -29.16 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -84.47 -23.33 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.13 139.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 m -126.6 79.9 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -135.35 105.51 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 0.3 OUTLIER -162.38 129.16 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -158.87 160.59 36.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -143.31 120.98 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -118.88 148.02 43.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.16 131.44 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.62 125.43 50.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -128.53 144.28 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.447 HG21 ' CH2' ' A' ' 113' ' ' TRP . 2.7 tt -159.69 139.74 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -52.88 145.69 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.94 133.47 20.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.135 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.32 57.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -35.34 12.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -95.88 25.05 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -51.27 101.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.9 m -95.42 -64.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -100.77 126.0 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.4 tpt -68.44 -38.94 81.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -69.66 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.25 95.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.68 -51.97 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 66.7 m95 -60.44 -26.54 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -76.51 -56.09 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.35 -36.95 83.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.09 119.46 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -85.94 155.73 58.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.78 19.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -89.42 -16.04 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -114.06 -9.93 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.1 mt -82.27 137.63 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -110.87 120.4 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 124' ' ' SER . 10.3 t70 -105.79 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 35.0 m -140.13 120.2 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -85.6 112.37 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 127' ' ' ARG . 6.7 tt -121.6 143.41 49.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.463 ' N ' HD21 ' A' ' 126' ' ' LEU . 52.2 ttt180 -111.26 106.7 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.443 ' O ' ' ND1' ' A' ' 93' ' ' HIS . 2.8 m -69.77 116.25 9.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.54 129.87 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 80.9 m-85 -93.0 110.85 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.69 157.67 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 18.0 mtp -139.84 148.89 57.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.06 4.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.21 111.8 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -151.78 134.04 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.22 173.77 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 47.96 25.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.41 130.73 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.79 117.65 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -56.76 129.86 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.73 149.07 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.2 t -143.13 165.46 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.71 166.18 35.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.431 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -1.45 8.55 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.292 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 m -140.14 161.67 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 87.9 p -170.78 109.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -164.18 170.71 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 p -71.61 108.15 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.77 -107.25 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -130.76 -47.44 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 p -63.36 149.04 46.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.84 -135.79 3.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -132.78 161.39 34.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.63 172.48 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 64.96 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.78 93.33 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.11 93.31 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -139.96 150.07 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -109.27 -27.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' N ' HG21 ' A' ' 14' ' ' ILE . 46.1 mt -104.3 129.57 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.66 104.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.37 159.15 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.0 m-20 -153.96 119.07 2.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.73 136.22 37.67 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.386 -0.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.43 12.75 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -67.96 -76.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.34 156.07 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 17.3 tp -98.88 105.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -81.43 153.04 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 20.0 m-85 -129.71 109.62 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -73.3 118.74 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.77 -160.93 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.15 33.71 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.387 0.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 24.3 m-85 -103.28 21.45 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t -88.73 -16.57 31.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.18 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.91 119.61 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.9 t -102.11 117.05 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -93.85 120.94 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 3.4 m -107.56 143.22 36.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -99.76 120.4 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -116.17 101.28 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -78.12 149.07 33.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' CB ' HD11 ' A' ' 68' ' ' ILE . 35.1 mt -134.81 104.58 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -84.66 153.89 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -132.5 103.12 13.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.12 6.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -53.49 176.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.08 22.28 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -140.86 148.83 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -52.61 136.34 32.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.16 135.87 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.3 m -86.55 146.88 26.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 68' ' ' ILE . 18.6 p90 -148.6 130.96 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 46.1 mttt -117.29 145.45 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.4 123.72 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 133.53 20.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.5 t -132.96 165.44 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -80.44 -11.89 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.59 62.0 23.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.553 0.692 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -40.59 5.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -58.43 -15.77 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -113.36 -28.67 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.504 ' CE1' HD22 ' A' ' 80' ' ' LEU . 5.4 m-85 -108.14 124.22 49.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.71 94.25 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -87.36 123.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 17.4 mmm180 -138.72 123.21 11.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.78 161.92 85.25 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.361 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -98.78 -0.44 42.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -174.78 150.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.48 -160.68 32.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mt -128.19 138.9 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 49' ' ' PHE . 68.3 mt -101.88 124.02 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.12 152.47 29.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.43 53.24 3.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 m -155.96 163.17 40.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 88.8 mt -113.75 128.75 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.8 t -110.9 125.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.67 118.58 31.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -99.69 153.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.46 104.86 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 t -96.1 93.74 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 62' ' ' ARG . 5.1 mpp? -75.5 112.39 11.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD22 ' CE1' ' A' ' 59' ' ' TYR . 1.6 tm? -107.24 112.85 25.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.469 ' N ' HD23 ' A' ' 80' ' ' LEU . 6.2 mp0 -71.06 143.68 89.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 148.83 65.76 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -159.25 175.75 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.46 88.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -68.91 106.02 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.38 99.86 52.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -30.9 21.71 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.74 2.293 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -46.33 -45.41 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.97 -174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -109.34 129.5 55.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -58.08 133.29 55.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -125.3 39.41 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -128.56 134.36 48.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -125.98 148.89 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -118.7 126.98 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -128.63 140.37 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.7 t -127.25 129.48 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -101.9 153.03 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 15' ' ' LEU . 31.6 p -152.46 130.19 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -147.81 129.29 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 39.0 m-85 -44.3 154.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.42 20.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.705 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.43 30.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.71 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.08 21.55 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.6 tp -43.94 104.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -122.4 -54.46 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.2 92.87 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.7 mtp -50.44 -44.25 55.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.77 -37.99 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.47 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.15 -62.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.526 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 96.3 m95 -49.92 -32.76 15.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -70.2 -58.04 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.91 -29.45 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.37 125.39 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -85.77 155.7 58.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.43 10.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.35 -18.89 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -108.59 -13.29 14.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.29 127.78 33.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.42 136.07 38.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.45 168.2 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.0 p -141.76 124.71 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -82.89 113.76 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.9 tt -129.69 151.03 50.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.465 ' N ' HD23 ' A' ' 126' ' ' LEU . 14.4 ptt85 -126.93 141.75 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.9 m -100.74 127.92 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.4 t -96.43 141.03 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -101.44 105.14 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -110.61 149.43 30.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ptm -144.47 146.57 33.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.26 31.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -56.57 -61.16 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.58 99.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -97.72 28.83 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.36 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -99.45 125.88 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tt -84.36 114.32 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.37 162.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -116.28 41.68 2.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.6 p -67.87 154.69 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 134.51 70.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 171.38 14.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -120.21 118.51 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.3 t -121.35 137.94 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 tp -107.5 -33.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 HD12 ' A' ' 68' ' ' ILE . 9.9 mt -90.61 125.24 35.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.34 104.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.5 mp -69.68 148.1 49.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.8 m-20 -142.32 119.58 7.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 54.4 Cg_endo -69.72 137.22 42.61 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.36 0.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.72 21.9 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.377 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 m -76.56 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -142.96 147.71 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 35' ' ' THR . 22.4 tp -96.44 107.11 19.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.48 154.27 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -129.38 117.82 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -81.83 117.3 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.29 0.27 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -177.25 14.15 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.364 0.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 20.8 m-85 -103.9 -17.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -83.06 9.7 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 10.0 t70 -149.84 168.05 24.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.35 130.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 26' ' ' LYS . 14.8 t -103.77 160.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.479 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.0 m -139.89 111.67 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 ' CG2' HD11 ' A' ' 23' ' ' LEU . 15.4 m -126.97 122.48 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.63 128.74 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -108.15 113.95 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -85.02 131.81 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 25.9 mt -123.58 105.41 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -87.51 144.74 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -123.92 98.83 38.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.26 24.06 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -62.89 167.38 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -112.77 26.47 10.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.5 ptp180 -141.8 148.26 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' HG21 ' A' ' 67' ' ' ILE . 79.3 mttt -50.36 147.51 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 45' ' ' ARG . 51.9 t -146.26 133.52 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -93.84 140.44 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -128.48 135.45 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HG3' ' CD2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -116.65 108.21 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 61' ' ' VAL . 29.6 t -76.31 118.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -138.59 128.63 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -127.15 165.88 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -78.57 -13.12 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.72 66.41 64.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.0 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -89.13 -31.17 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -108.63 24.73 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -143.13 131.62 22.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -122.78 94.09 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 51' ' ' VAL . 90.5 t -94.76 132.77 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.46 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 26.5 ttt85 -153.32 123.22 3.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.77 147.4 84.59 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.331 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.98 -3.93 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 96.0 p -172.84 173.64 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.0 27.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' LYS . 27.0 mt -115.65 134.17 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.479 HD12 HD13 ' A' ' 15' ' ' LEU . 78.5 mt -98.4 108.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.71 151.73 0.31 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.74 122.59 9.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.383 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 39.68 29.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.1 m -145.42 165.49 28.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.04 138.54 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 68' ' ' ILE . 37.1 t -114.84 140.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.7 m -107.92 101.68 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.445 ' CG1' HG13 ' A' ' 61' ' ' VAL . 84.2 t -87.38 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.8 m -95.58 110.57 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 61' ' ' VAL . 43.5 t -109.51 92.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.6 mtm -84.03 130.34 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 ' HE2' ' A' ' 130' ' ' PHE . 1.2 tt -103.48 117.97 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.64 143.65 86.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.72 119.76 6.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.18 112.64 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtm -111.0 119.43 39.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.55 126.57 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.73 140.26 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.0 p -142.22 139.23 31.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.546 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -157.06 137.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -52.37 156.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.3 141.56 23.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.1 22.53 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.59 29.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 23.9 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 4.3 tp -47.51 97.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.2 m -111.7 -57.67 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.4 t0 -102.33 115.38 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.42 ' SD ' HD11 ' A' ' 106' ' ' ILE . 73.1 mmm -68.39 -50.0 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.34 -29.35 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.29 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 106' ' ' ILE . 51.3 t -66.79 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.546 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 82.3 m95 -53.29 -30.79 40.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -72.69 -55.57 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.97 -37.19 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.33 130.44 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -89.63 153.33 47.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.07 -10.96 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -114.75 -26.57 7.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.69 125.52 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -94.52 133.57 37.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.6 168.89 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -139.81 135.05 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.6 tt -127.93 149.86 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.958 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -119.57 136.99 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 91.1 m -93.91 119.31 32.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.42 123.36 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 4.4 m-85 -89.77 114.1 25.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -105.71 167.55 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.542 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 5.7 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -68.76 -39.34 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD12 ' CG2' ' A' ' 99' ' ' THR . 66.1 mt -82.61 121.96 27.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.68 98.73 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 97' ' ' VAL . 4.8 mp -64.82 160.93 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 26.2 t0 -152.92 118.18 2.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.76 136.62 39.67 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.365 0.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.12 25.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.8 m -77.99 -75.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.92 148.5 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.673 ' H ' HD21 ' A' ' 126' ' ' LEU . 30.1 tp -89.03 92.53 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.94 148.58 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.9 m-85 -124.19 121.3 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -79.58 113.76 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.25 -161.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.16 33.64 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 0.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 64.2 m-85 -101.35 4.48 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -84.38 13.75 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -163.06 164.37 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG22 ' HD3' ' A' ' 82' ' ' PRO . 59.2 t -58.04 125.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 34' ' ' THR . 88.3 t -105.61 157.81 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.495 ' N ' HG12 ' A' ' 33' ' ' VAL . 9.4 m -128.52 124.11 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -132.79 123.8 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 5.4 p-10 -90.8 132.98 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.18 103.68 13.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.56 129.42 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' A' ' 17' ' ' LEU . 15.0 mt -122.91 107.14 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 41' ' ' ASN . 1.3 tm0? -88.6 146.38 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.5 ' H ' ' NE2' ' A' ' 40' ' ' GLN . 36.3 t-20 -126.35 98.8 31.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -19.54 35.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -75.44 165.32 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -107.44 14.46 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 ptt-85 -128.53 133.93 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -42.55 137.76 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 45' ' ' ARG . 57.9 t -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 62.6 m -81.45 137.42 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.5 p90 -134.66 133.42 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 24.4 mttm -113.22 119.45 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 61' ' ' VAL . 2.4 t -88.42 123.66 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -157.42 121.93 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 3.0 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -71.37 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' HH11 ' A' ' 58' ' ' ARG . . . -115.41 67.15 2.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.76 27.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -63.41 -28.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.577 ' HD2' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -109.77 0.98 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 58' ' ' ARG . 6.5 m-85 -119.37 131.34 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -123.16 95.98 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 51' ' ' VAL . 92.5 t -99.26 128.44 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 51.4 ttt180 -146.48 123.92 6.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 149.18 88.25 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.303 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -77.27 -13.62 59.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -168.48 161.56 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.85 -154.96 25.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -132.32 137.83 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 HD13 ' A' ' 15' ' ' LEU . 66.2 mt -100.99 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' ILE . 29.4 m-20 -36.9 149.86 0.16 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 113.78 3.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.69 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -140.62 -179.45 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG1' ' HG2' ' A' ' 40' ' ' GLN . 18.6 mt -130.11 135.92 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.96 135.11 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 25.1 m -109.61 101.35 10.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 61' ' ' VAL . 60.3 t -83.34 151.22 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 m -99.1 104.42 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 61' ' ' VAL . 21.7 t -106.76 93.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.98 130.34 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -103.56 111.57 24.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 4.4 mm-40 -58.37 154.15 34.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.655 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.502 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 7.7 t80 -129.86 124.08 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.12 130.97 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 17' ' ' LEU . 63.6 t -130.45 120.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -101.91 148.81 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.72 ' CG2' HD12 ' A' ' 15' ' ' LEU . 2.3 p -150.21 140.42 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.9 tt -158.07 151.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' N ' ' CG1' ' A' ' 100' ' ' ILE . 40.8 m-85 -68.03 143.98 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.2 139.57 21.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.29 46.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -83.47 21.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.52 117.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -106.93 -61.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -123.3 111.99 17.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 49.9 mtp -47.45 -38.24 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.63 -47.2 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.33 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.57 -59.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.6 m95 -49.72 -41.32 43.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.67 -55.5 26.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.56 -34.77 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.34 133.09 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -93.22 155.76 40.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.67 19.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -97.33 -9.35 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.43 -23.07 9.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 137.16 44.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.3 mpp? -108.46 142.06 39.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -122.14 170.79 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -141.81 123.61 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -87.86 111.22 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.0 tt -123.86 140.67 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.783 ' N ' HD23 ' A' ' 126' ' ' LEU . 34.5 ttm-85 -115.82 117.23 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.45 135.2 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.17 125.74 66.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 52.2 m-85 -89.29 107.96 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.547 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 8.0 mt-10 -101.12 165.59 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 29' ' ' PHE . 33.5 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.93 HE21 ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.596 HD13 ' HZ ' ' A' ' 101' ' ' PHE . 6.8 tp -74.59 -37.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 68' ' ' ILE . 72.5 mt -89.95 131.03 36.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -86.04 107.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.6 mp -72.69 157.64 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -149.13 118.25 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.77 136.73 40.27 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.308 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -24.07 30.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -82.73 -76.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 14.9 m-20 -144.17 152.97 41.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' A' ' 25' ' ' PHE . 27.0 tp -94.3 112.43 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -92.32 139.27 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' HE1' HD23 ' A' ' 23' ' ' LEU . 29.6 m-85 -113.87 120.69 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.78 120.41 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 28' ' ' PRO . . . -63.85 -158.5 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HB2' HG22 ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.73 158.64 90.71 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.299 0.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 21.7 m-85 -92.13 30.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 28' ' ' PRO . 10.0 t -107.98 0.54 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -149.72 178.78 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.28 118.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -96.63 147.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -124.47 113.23 17.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -118.97 123.99 45.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 3.3 m120 -92.85 131.51 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.3 tt -111.12 110.67 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -79.69 133.38 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.2 mt -125.93 105.93 9.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.65 155.7 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' HA ' HD23 ' A' ' 15' ' ' LEU . 30.6 t-20 -134.38 98.81 13.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -34.32 14.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 14' ' ' ILE . 33.8 p -62.73 155.67 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.71 25.0 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.2 ptp180 -138.73 143.29 39.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.509 ' HD3' HG21 ' A' ' 67' ' ' ILE . 66.0 mttt -45.54 150.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' ARG . 90.7 t -146.21 121.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -83.57 132.02 34.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CE2' HG13 ' A' ' 68' ' ' ILE . 30.3 p90 -128.2 146.91 50.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 18.9 mtpt -133.2 123.99 26.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.46 120.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.64 120.63 24.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -136.01 144.64 45.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.3 p -65.45 -6.92 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -107.43 82.39 1.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -41.7 4.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -94.61 -43.39 8.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.729 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 12.2 mmt180 -62.18 -35.62 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 130' ' ' PHE . 10.9 m-85 -119.87 125.71 49.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.86 112.2 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 78' ' ' VAL . 81.8 t -108.69 129.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -148.07 123.94 5.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.71 153.02 92.71 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.351 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.98 -7.69 59.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -171.55 165.16 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.67 -169.87 35.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.509 HG21 ' HD3' ' A' ' 46' ' ' LYS . 38.1 mt -117.46 138.52 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.535 HD12 HD13 ' A' ' 15' ' ' LEU . 32.5 mt -101.92 113.18 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.04 145.26 9.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.71 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 27.2 29.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.9 m -137.82 168.39 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.4 134.09 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.22 132.3 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 4.2 m -105.39 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 61' ' ' VAL . 85.8 t -83.55 143.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -91.92 109.32 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 61' ' ' VAL . 11.8 t -109.47 94.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -82.43 135.46 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -121.26 112.83 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.571 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.1 mp0 -69.38 144.13 94.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.4 47.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.244 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HE2' ' CE ' ' A' ' 125' ' ' LYS . 13.2 ttmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -149.51 106.55 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.57 156.09 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.7 t -137.62 141.01 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.68 146.07 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.428 ' CG2' HD12 ' A' ' 15' ' ' LEU . 40.4 p -148.45 117.74 6.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.513 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 5.0 tt -133.83 141.49 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 74.6 m-85 -56.83 149.55 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.81 138.94 24.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 161.28 46.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -11.91 31.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -126.25 27.04 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.49 HD12 HG21 ' A' ' 112' ' ' VAL . 3.0 tt -50.52 99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.8 m -93.94 -56.66 2.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -126.81 130.13 49.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.5 mmm -47.36 -51.94 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.08 -41.41 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.05 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 106' ' ' ILE . 41.2 t -65.38 -58.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 88.2 m95 -58.93 -34.46 71.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.47 -55.52 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.49 -32.6 74.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.39 130.56 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -91.84 153.67 43.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.06 22.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -97.44 -4.41 38.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.44 -19.19 6.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.32 121.03 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -89.79 125.94 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.23 151.26 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -134.71 112.84 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.453 ' CE ' ' HE2' ' A' ' 94' ' ' LYS . 15.8 tptt -83.09 109.71 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.623 HD23 ' C ' ' A' ' 126' ' ' LEU . 6.6 tt -113.62 134.64 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.452 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.2 ttm180 -99.71 137.84 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.18 126.85 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.31 112.45 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 22.3 m-85 -86.19 104.62 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.573 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 64.7 mt-10 -97.18 167.21 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.4 mmm . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.784 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 tp -76.44 -30.4 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 68' ' ' ILE . 56.3 mt -84.65 130.31 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.0 t -84.59 99.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.5 158.89 28.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.9 t70 -153.46 118.45 2.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.4 Cg_endo -69.81 137.17 42.56 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.342 0.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 p -80.58 -74.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 7.5 m-20 -144.03 149.39 36.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 25' ' ' PHE . 17.6 tp -93.9 109.48 21.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.8 150.98 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CE1' HD23 ' A' ' 23' ' ' LEU . 13.6 m-85 -124.37 113.14 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.19 15.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.98 -159.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.77 83.49 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.39 0.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 20.6 m-85 -87.27 -12.97 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -58.61 -29.99 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.97 168.57 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 32' ' ' VAL . 2.8 p -66.23 122.64 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.28 148.61 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -115.9 111.32 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -112.01 134.36 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -107.87 122.96 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -101.99 111.52 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -82.4 138.5 34.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -131.42 103.62 6.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -86.65 158.67 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.34 99.05 14.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -22.13 32.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 p -71.57 -179.62 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.25 27.77 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.1 ptm85 -143.05 135.16 27.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -39.87 135.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.5 t -132.5 122.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 98.0 m -81.33 133.36 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 66' ' ' GLY . 25.7 p90 -130.58 148.12 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 16.0 mttm -131.08 142.08 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -105.19 123.13 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -143.18 130.32 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -141.05 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 p -70.17 -6.34 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -114.85 81.87 7.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.83 17.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.9 -55.18 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.2 tpp180 -53.4 -48.85 68.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -99.28 127.12 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -121.87 101.77 7.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 51' ' ' VAL . 58.5 t -93.09 129.73 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 42.3 ttp180 -145.94 122.61 5.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.4 Cg_endo -69.72 157.14 92.26 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.354 -0.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -87.65 -5.16 58.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p -172.02 147.48 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 177.14 -175.32 47.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.18 135.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 15' ' ' LEU . 67.9 mt -99.76 116.99 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.09 146.44 8.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.7 Cg_endo -69.75 109.97 2.44 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.63 43.68 4.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.4 m -154.74 -176.97 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.07 139.64 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.474 HG21 HG12 ' A' ' 68' ' ' ILE . 19.4 t -113.5 139.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -115.76 101.66 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.31 137.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -86.36 106.75 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -100.66 101.83 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.1 mtm -83.22 134.8 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -118.9 114.1 22.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.529 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.5 mp0 -68.83 141.62 92.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.39 8.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.2 tttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.49 133.66 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.0 mtm -129.4 114.57 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -112.37 123.15 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 31.9 tt0 -101.61 142.18 33.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.2 p -142.89 141.57 31.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.502 HG22 ' CH2' ' A' ' 113' ' ' TRP . 3.6 tt -154.0 146.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 45' ' ' ARG . 72.5 m-85 -63.97 136.03 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.4 138.55 20.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.87 44.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.03 30.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -115.67 49.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.517 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -77.87 109.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -102.28 -65.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 112' ' ' VAL . 71.4 m-20 -87.88 108.99 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.0 tpt -59.74 -57.4 13.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.75 -51.29 61.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -48.97 -49.05 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 108' ' ' ASP . 76.3 t -50.08 -56.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 100' ' ' ILE . 82.7 m95 -57.32 -39.96 76.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -59.89 -53.05 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -64.53 -36.63 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.05 120.78 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -84.09 155.06 64.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 -17.68 25.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -114.86 -6.84 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 15.3 mt -86.57 119.6 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -89.64 156.88 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -146.09 162.42 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.9 t -134.91 121.54 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -84.15 107.58 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 126' ' ' LEU . 5.9 tt -128.57 133.83 48.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.447 ' N ' HD23 ' A' ' 126' ' ' LEU . 21.1 ptt180 -102.87 136.56 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.01 115.73 26.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 51.2 t -95.35 132.22 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.2 m-85 -101.53 107.38 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -110.82 151.63 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.543 0.687 . . . . 0.0 110.859 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.775 0.321 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 101' ' ' PHE . 11.4 tp -80.18 -20.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -115.42 114.26 24.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m -89.37 143.94 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.8 mp -105.75 161.1 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.69 117.48 4.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.47 43.99 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.309 -0.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -36.18 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.6 m -67.06 -76.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 152.26 40.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.748 ' H ' HD21 ' A' ' 126' ' ' LEU . 43.2 tp -96.27 106.28 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.58 155.43 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 35.3 m-85 -128.89 121.48 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -80.74 122.4 27.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.58 -162.46 11.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.83 24.19 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.342 0.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 19.6 m-85 -103.67 14.76 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -76.68 -22.65 53.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -130.63 177.38 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 82' ' ' PRO . 78.3 t -69.63 121.0 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.62 139.55 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -111.59 112.2 23.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 5.5 m -106.81 140.08 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.22 120.47 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.17 108.71 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.33 141.74 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 26.6 mt -131.87 104.97 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 40.5 tt0 -89.15 149.76 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.58 98.9 33.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.94 37.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.466 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 88.9 p -72.52 -176.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -126.35 15.85 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.3 ptp180 -137.58 149.27 46.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -50.37 144.55 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 45' ' ' ARG . 77.6 t -142.33 121.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.0 m -74.03 135.64 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.57 129.77 31.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 17.4 mttm -115.68 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.26 109.3 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -131.27 126.71 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -129.81 149.53 51.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -53.03 -20.41 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.58 79.89 1.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.571 0.7 . . . . 0.0 111.052 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -35.01 13.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -88.31 -54.01 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.796 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 62.6 mtt85 -51.56 -39.1 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 4.5 m-85 -110.99 143.77 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.26 102.98 7.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 63' ' ' PRO . 56.2 t -91.42 125.76 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -145.23 116.13 5.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.643 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.9 Cg_endo -69.77 162.24 84.55 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.368 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m120 -90.17 -16.36 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -170.57 156.04 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.66 -149.14 11.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.9 mt -133.68 140.33 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG23 HG23 ' A' ' 74' ' ' VAL . 65.8 mt -103.96 116.85 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.53 147.95 2.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.25 33.28 20.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.6 m -141.57 157.06 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -108.11 130.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.423 HG23 HG23 ' A' ' 68' ' ' ILE . 54.4 t -112.1 132.55 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 m -103.15 120.98 41.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.25 137.6 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -90.37 96.33 10.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.04 98.14 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -79.74 148.15 31.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -131.41 111.48 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.8 145.74 99.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 114.79 3.82 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -145.04 122.8 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.65 145.45 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.78 134.69 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -102.56 147.78 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 p -150.96 128.72 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.575 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 3.1 tt -150.18 144.85 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 14' ' ' ILE . 96.5 m-85 -57.63 152.32 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.3 136.09 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.21 22.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -29.3 24.16 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -117.75 65.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.584 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -92.42 98.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -89.33 -54.39 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.9 m-20 -110.82 117.3 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 45.2 mtp -66.42 -46.42 76.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.32 -38.39 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.97 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG21 HD12 ' A' ' 106' ' ' ILE . 59.5 t -52.39 -56.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 99.3 m95 -54.97 -37.56 66.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.97 -52.42 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.96 -33.86 76.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.34 135.34 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -95.61 153.23 39.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.84 -18.33 35.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -113.55 -18.32 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 100' ' ' ILE . 14.3 mt -74.38 127.37 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.03 123.16 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.39 165.43 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -136.45 123.19 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -84.4 116.86 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.748 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.8 tt -137.66 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.66 ' N ' HD23 ' A' ' 126' ' ' LEU . 42.5 ttp180 -110.97 131.05 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.5 m -74.41 117.43 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.39 117.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.4 m-85 -88.29 113.26 23.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -103.02 159.77 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.2 mtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tp -96.68 -25.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD12 ' CG2' ' A' ' 99' ' ' THR . 17.7 mt -97.64 129.19 44.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.9 t -94.85 104.6 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.94 152.89 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.572 ' O ' HD23 ' A' ' 37' ' ' LEU . 32.7 m-20 -143.22 117.99 6.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 137.82 46.05 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.34 0.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -35.58 12.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -70.23 -75.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.98 151.8 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.828 ' H ' HD21 ' A' ' 126' ' ' LEU . 41.8 tp -89.63 117.84 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -94.18 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 38.7 m-85 -114.43 124.76 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -84.19 122.63 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.61 -162.03 10.9 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -174.5 9.56 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.34 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 21.4 m-85 -110.63 2.5 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -74.37 -4.9 39.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.68 166.09 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG22 ' HD3' ' A' ' 82' ' ' PRO . 75.8 t -51.21 131.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 34' ' ' THR . 47.7 t -106.53 158.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 33' ' ' VAL . 19.7 m -133.64 119.98 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 93.1 m -129.63 120.6 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.03 130.84 37.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -110.05 112.06 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -82.16 136.86 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.88 103.95 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 15.1 tt0 -89.31 152.19 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 42.8 t30 -130.57 98.82 19.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.05 31.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 p -61.89 -177.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' C ' ' HB3' ' A' ' 70' ' ' PRO . 87.3 m-20 -123.75 14.16 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 3.6 ptp180 -135.85 152.89 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.11 150.08 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 100' ' ' ILE . 59.9 t -147.35 133.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 8.9 m -88.25 149.1 24.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -145.36 141.89 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 113' ' ' TRP . 29.1 mtmt -130.7 119.17 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.9 107.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -115.64 128.18 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 t -139.34 160.37 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.9 p -73.19 -2.56 22.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -118.01 85.74 24.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.07 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -94.65 -48.07 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.735 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 21.7 ttt180 -47.32 -39.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 80' ' ' LEU . 4.8 m-85 -107.42 145.75 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.45 91.69 3.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' A' ' 78' ' ' VAL . 6.6 m -98.74 133.36 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 77.4 mtt180 -154.38 122.25 2.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.653 0.739 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.2 Cg_endo -69.74 164.18 79.86 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.38 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -106.18 -7.13 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 p -169.74 146.99 3.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.42 17.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.1 mt -131.77 142.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.4 mt -110.7 117.09 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.51 152.83 11.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.71 126.12 12.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.88 22.39 69.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -127.85 172.76 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.72 135.02 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -111.51 137.91 42.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -108.01 107.32 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.81 150.51 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.0 m -102.76 96.19 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 61' ' ' VAL . 8.2 t -95.9 96.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.4 mtm -93.02 135.32 34.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -114.84 109.93 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.33 156.71 20.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.71 118.7 5.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.63 116.95 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -117.33 144.89 44.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.91 123.97 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 9.0 tt0 -100.17 138.04 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 15' ' ' LEU . 76.2 p -142.32 140.45 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.5 tt -154.35 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -57.83 149.91 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -117.72 136.13 23.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 111.07 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.75 18.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.96 31.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ILE . 7.8 t-20 -96.8 -57.9 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.8 tt 34.44 52.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -43.41 -57.15 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.871 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.0 m-20 -113.07 129.07 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mtp -69.39 -52.84 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -54.24 -53.55 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -46.68 -44.72 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 108' ' ' ASP . 17.1 t -50.58 -54.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 98.4 m95 -56.77 -41.82 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -59.81 -54.32 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.84 -33.99 76.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 130.25 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -89.38 153.95 48.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.1 9.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -95.98 -20.83 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -106.59 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 11.7 mt -73.94 135.48 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.7 132.22 48.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 159.37 27.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -134.67 123.3 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.1 113.21 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.828 HD21 ' H ' ' A' ' 23' ' ' LEU . 7.1 tt -127.89 141.38 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.72 ' N ' HD23 ' A' ' 126' ' ' LEU . 45.9 ttp85 -111.79 126.06 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 28.1 m -76.18 122.53 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.3 t -102.61 115.99 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 7.2 m-85 -89.65 107.06 18.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.48 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.516 ' SD ' ' CD2' ' A' ' 29' ' ' PHE . 70.8 mmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.706 ' OE1' HD11 ' A' ' 17' ' ' LEU . 5.1 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 43' ' ' SER . 5.2 tp -46.69 -40.86 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 9.7 mt -84.11 149.11 26.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.4 t -109.41 105.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -77.82 151.63 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -139.54 118.24 8.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.77 137.28 43.03 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.3 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -77.64 -75.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 8.2 p-10 -143.96 152.11 40.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.74 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 24.7 tp -91.68 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -95.15 125.49 39.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.74 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 8.8 m-85 -102.84 140.34 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -104.51 115.97 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.59 -162.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.9 91.71 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.325 0.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -93.32 32.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.0 p -99.69 -23.03 15.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -130.4 175.61 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -56.38 123.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.7 135.47 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -117.55 116.19 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -119.21 145.63 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -76.5 136.5 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 14.8 mt -129.26 105.21 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -88.91 159.23 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 29.1 t-20 -134.93 98.93 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -28.79 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.779 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.5 p -61.58 163.12 7.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.08 27.75 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.8 ptp180 -151.07 147.86 27.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 67' ' ' ILE . 30.4 mtmt -50.81 149.41 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -143.82 116.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -72.13 136.45 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -131.27 141.13 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' CG ' ' CE2' ' A' ' 113' ' ' TRP . 16.6 mmtt -125.16 128.27 48.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.11 118.49 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -140.46 119.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -117.79 165.98 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.0 p -64.31 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.93 70.33 0.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.5 2.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -63.91 -20.84 66.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 8.0 ttt-85 -103.11 -16.13 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 80' ' ' LEU . 6.4 m-85 -110.12 135.38 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -124.72 91.53 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.484 HG12 HG13 ' A' ' 78' ' ' VAL . 6.1 m -91.09 131.28 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.8 ttp85 -143.76 120.86 6.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.76 157.83 91.64 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -98.28 -4.14 35.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 p -169.97 153.83 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.08 -168.92 39.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.534 HG21 ' HD2' ' A' ' 46' ' ' LYS . 13.2 mt -121.62 144.11 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 74' ' ' VAL . 93.7 mt -110.17 105.63 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.21 150.72 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.78 112.61 3.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 39.55 6.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -144.1 -179.35 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.3 mt -134.67 134.36 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -111.61 137.83 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -108.82 102.76 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.01 137.37 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -88.38 113.29 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 61' ' ' VAL . 34.6 t -100.69 119.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 15.3 mtt -102.05 136.6 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -133.41 112.11 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.623 ' N ' HD22 ' A' ' 80' ' ' LEU . 2.8 mp0 -62.64 142.81 96.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 143.84 52.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -131.53 114.36 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.79 151.94 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.81 130.18 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -99.72 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -143.38 141.48 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.606 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.4 tt -159.77 142.68 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.86 147.95 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.15 139.34 22.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.32 24.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -20.02 35.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -113.8 15.2 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.0 tp -37.79 112.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -125.85 -73.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 112' ' ' VAL . 29.9 m-20 -87.3 107.82 18.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.6 mtp -57.6 -44.25 85.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 114' ' ' LYS . 8.4 pt-20 -57.88 -55.61 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.17 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.656 HG21 ' CD1' ' A' ' 106' ' ' ILE . 54.5 t -57.44 -57.06 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CE2' ' CG ' ' A' ' 50' ' ' LYS . 86.4 m95 -52.26 -43.87 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 110' ' ' GLU . 4.1 mptt -61.18 -47.66 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.92 -31.56 72.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.43 132.56 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -93.14 153.11 41.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.57 18.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.47 -25.04 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -107.56 -24.55 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.606 HD23 ' HB ' ' A' ' 100' ' ' ILE . 18.9 mt -68.48 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.8 mtm -102.89 142.05 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.59 163.51 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.6 t -135.45 129.99 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -87.81 118.43 27.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.61 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.2 tt -128.12 129.59 46.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.487 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.4 ttm180 -97.94 123.42 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.06 117.49 20.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.62 118.65 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.31 105.63 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.54 158.61 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.923 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tp -106.8 14.93 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 ' HD2' ' A' ' 42' ' ' PRO . 47.3 mt -131.39 163.64 27.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.6 t -120.24 106.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.98 147.56 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.4 t70 -140.65 119.2 8.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 54.3 Cg_endo -69.71 136.75 40.26 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.344 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -32.04 19.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -73.66 -74.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -143.86 148.96 36.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' H ' HD21 ' A' ' 126' ' ' LEU . 24.4 tp -92.83 117.63 30.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -93.09 148.32 22.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -122.28 127.22 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -92.14 118.93 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.26 -158.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 177.0 30.24 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.301 0.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 28.7 m-85 -101.9 15.09 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -83.2 -41.39 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -116.29 -179.53 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.67 130.55 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.3 151.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -123.12 128.54 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -131.56 124.34 29.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -92.18 120.41 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -105.87 110.7 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -78.03 145.2 36.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.8 mt -143.06 105.65 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.64 161.87 19.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 56.7 t-20 -128.58 98.85 24.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.77 -40.47 5.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.38 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -60.35 156.95 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.54 36.8 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.7 ptp180 -156.6 140.18 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 79.8 mttt -42.31 133.15 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.4 t -126.65 127.73 70.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 72.3 m -79.8 159.2 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.53 135.76 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 14.0 mmtt -121.65 114.05 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 61' ' ' VAL . 2.7 t -83.13 112.57 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -142.95 129.94 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -134.29 167.1 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.6 p -58.51 -23.08 57.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.957 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.38 80.17 1.1 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.1 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -88.4 -43.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.957 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 36.1 mtt85 -62.91 -45.52 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -101.41 128.02 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.71 99.65 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.799 HG22 HG13 ' A' ' 78' ' ' VAL . 67.7 t -94.92 138.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 8.8 ttt180 -149.88 122.46 4.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.72 143.75 74.66 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.357 -0.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.32 -11.83 60.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -174.16 159.54 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.04 -157.44 27.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 109' ' ' MET . 16.6 mt -128.25 132.27 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.723 HG23 HG23 ' A' ' 74' ' ' VAL . 36.0 mt -101.32 120.36 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -48.87 155.9 0.98 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.76 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.7 39.8 85.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -136.16 178.09 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.41 134.73 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.723 HG23 HG23 ' A' ' 68' ' ' ILE . 22.2 t -116.7 142.23 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -110.35 105.14 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG11 ' CG1' ' A' ' 61' ' ' VAL . 84.6 t -89.88 141.97 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.8 m -95.36 111.65 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -110.07 102.9 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.6 mtm -88.48 148.31 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -133.47 112.44 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 81' ' ' GLN . 2.0 mp0 -63.02 146.83 95.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.75 135.33 30.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -111.89 123.81 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -120.22 148.45 43.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -134.43 135.22 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -105.47 140.65 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.8 p -140.49 134.45 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.533 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.3 tt -151.39 139.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -45.9 162.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -119.44 127.05 26.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 155.32 65.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.15 54.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 112' ' ' VAL . 1.6 tt -83.47 132.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.1 m -125.42 -66.24 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.53 92.77 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 67' ' ' ILE . 11.3 tpt -45.21 -33.79 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.7 pp20? -64.53 -55.53 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.475 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -49.88 -51.14 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 106' ' ' ILE . 26.6 t -42.11 -59.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.54 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 88.5 m95 -53.24 -42.21 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -60.51 -56.44 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.67 -37.5 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.55 131.83 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -96.08 154.88 38.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.79 33.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.36 -28.97 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.94 -21.64 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.533 HD23 ' HB ' ' A' ' 100' ' ' ILE . 12.1 mt -71.1 126.38 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.77 144.5 25.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -131.3 167.6 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.4 p -143.88 136.78 27.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -98.52 107.7 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.6 tt -121.22 142.74 49.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.758 ' N ' HD23 ' A' ' 126' ' ' LEU . 2.4 ptp85 -109.41 127.55 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.25 122.68 32.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.01 123.35 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -87.36 105.62 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.93 159.16 15.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.89 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tp -83.6 -28.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 99' ' ' THR . 14.2 mt -92.3 135.13 34.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.11 104.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.15 155.42 40.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 1.7 m-20 -143.94 117.75 5.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.843 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.76 138.49 49.38 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.351 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.63 12.27 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -144.02 152.63 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.775 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.4 tp -91.89 109.52 20.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -88.96 140.8 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 23' ' ' LEU . 10.3 m-85 -113.17 122.11 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.38 116.44 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.86 -162.56 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.95 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.336 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 57.0 m-85 -98.47 22.5 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -76.76 -12.28 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 3.1 t70 -150.18 -176.73 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.76 118.84 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -99.05 122.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -98.54 110.31 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.1 m -104.19 134.79 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -93.44 122.32 35.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.5 111.75 24.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -88.04 131.12 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.09 104.62 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.04 154.47 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -133.62 98.86 14.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.36 9.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -54.27 173.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.11 36.68 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 18.9 ptp180 -154.52 150.53 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.99 140.48 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG13 ' C ' ' A' ' 100' ' ' ILE . 42.6 t -135.12 132.45 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 29.5 m -87.1 132.79 33.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -129.22 146.78 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 40.0 mttt -128.93 129.14 45.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -93.44 130.06 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -144.26 126.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 55' ' ' ALA . 10.5 t -138.67 149.23 44.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 p -58.85 -11.33 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -105.28 90.53 3.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 53.4 Cg_endo -69.86 -46.71 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -96.45 -47.8 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 27.1 mtm180 -52.41 -34.32 47.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 5.4 m-85 -115.9 125.21 52.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -117.57 109.73 17.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 78' ' ' VAL . 60.2 t -109.36 125.37 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 29.5 mtp180 -142.69 123.39 8.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.82 159.35 90.0 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.345 0.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -88.48 -9.9 50.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.8 p -170.9 150.77 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.34 -168.81 40.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.61 139.82 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.91 128.74 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.97 150.63 94.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.78 120.5 7.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 30.51 44.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.1 m -137.63 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -131.69 136.16 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.99 132.4 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 m -104.45 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -89.52 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -97.9 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 61' ' ' VAL . 86.6 t -110.69 92.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -80.77 150.47 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 81' ' ' GLN . 4.9 tt -132.19 121.31 23.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -64.11 143.01 98.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 52.8 Cg_endo -69.79 127.37 14.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -129.41 128.23 42.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.4 mtm -129.08 144.24 51.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.9 t -132.52 129.98 59.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -99.38 149.84 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 15' ' ' LEU . 23.5 p -152.6 136.53 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 4.0 tt -159.76 132.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 90.1 m-85 -46.16 141.79 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.49 136.8 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.73 59.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.31 33.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -102.93 7.55 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -41.16 126.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 m -130.54 -53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.78 115.59 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.7 mmm -55.85 -56.13 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -53.12 -31.43 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.18 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.56 -56.9 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.532 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -57.87 -37.96 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -62.69 -55.88 22.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -61.21 -38.28 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.46 132.01 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -90.78 154.09 45.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.17 -18.89 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -113.11 -21.25 11.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.07 132.01 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -95.23 150.37 20.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -134.63 158.37 44.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.4 m -135.44 118.52 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -88.05 112.45 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.3 tt -119.94 142.12 49.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.779 ' N ' HD23 ' A' ' 126' ' ' LEU . 10.8 tpp180 -110.51 113.0 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 m -77.09 130.24 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.3 t -115.74 145.04 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -104.34 106.51 17.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.3 164.38 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.8 mtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 43' ' ' SER . 10.1 tp -115.18 -23.94 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' ' 68' ' ' ILE . 80.3 mt -96.34 126.3 41.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.11 98.6 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.5 mp -64.86 160.25 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 13.9 t70 -157.02 119.06 2.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.79 136.57 39.53 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.339 0.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -69.35 -75.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -143.79 151.52 40.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' HD21 ' A' ' 126' ' ' LEU . 25.0 tp -94.43 102.81 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -75.94 152.18 37.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.39 105.14 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -76.52 126.52 31.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.56 -158.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HB2' HG22 ' A' ' 30' ' ' THR . 54.0 Cg_endo -69.75 161.92 85.17 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 0.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -92.36 4.55 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' PRO . 3.3 t -101.81 3.9 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.95 172.03 13.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.17 125.08 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -101.28 151.73 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -132.74 111.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 23' ' ' LEU . 10.7 m -111.46 128.96 56.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -94.92 120.54 35.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.35 107.89 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -80.06 140.44 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 32.5 mt -135.21 104.97 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.44 144.45 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -119.58 98.79 49.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.43 9.18 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 24.3 p -59.77 174.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.87 25.62 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 6.1 ptp180 -141.45 146.88 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' HG21 ' A' ' 67' ' ' ILE . 36.1 mtmt -53.86 143.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.61 118.5 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.9 m -77.97 135.31 37.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -131.98 152.86 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 20.0 mtpt -131.36 128.61 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 61' ' ' VAL . 2.6 t -97.07 117.25 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 137.52 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.2 155.3 46.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -108.36 88.8 5.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.709 . . . . 0.0 111.12 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -51.85 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 ttp180 -53.84 -45.19 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -105.18 132.05 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -123.67 112.36 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 51' ' ' VAL . 60.1 t -102.15 125.45 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 38.6 ttm180 -144.09 121.08 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.73 150.61 90.35 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.362 -0.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -72.41 -12.32 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.3 p -173.54 175.02 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.36 -160.36 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 46' ' ' LYS . 50.0 mt -127.75 137.38 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 15' ' ' LEU . 67.3 mt -100.77 120.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.06 148.26 14.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.76 108.83 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.32 33.18 9.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -137.78 -177.31 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.8 mt -134.28 133.2 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.6 136.87 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -109.03 111.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 77' ' ' SER . 69.3 t -92.19 152.99 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 76' ' ' VAL . 65.8 m -105.61 109.62 21.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.6 96.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.7 mtm -81.72 128.92 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 59' ' ' TYR . 1.6 tm? -118.94 113.1 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD22 ' A' ' 80' ' ' LEU . 2.3 mp0 -62.98 143.3 97.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 128.25 15.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.8 t80 -114.69 141.03 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.02 124.35 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -120.36 123.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -99.01 150.55 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.442 ' CG2' HD12 ' A' ' 15' ' ' LEU . 57.3 p -149.8 136.79 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -156.29 140.15 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.58 148.66 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.72 136.08 19.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 157.37 60.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.03 43.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 106' ' ' ILE . 1.4 tt -68.76 119.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 -44.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.11 122.63 38.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.11 -51.76 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 111' ' ' ALA . 14.2 pt-20 -53.58 -47.11 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . -51.02 -43.46 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.41 -56.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 60.0 m95 -58.67 -27.07 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -73.97 -58.35 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.73 129.16 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -93.01 153.12 41.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.87 22.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.614 2.209 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.93 -13.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -113.47 -13.5 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 mt -78.74 138.15 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.6 mpp? -104.49 134.41 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -119.44 164.69 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.1 p -142.12 128.42 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -86.65 122.41 30.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -138.86 136.0 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.609 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -107.21 137.17 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.1 m -97.99 115.71 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.59 136.65 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -101.56 114.76 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.57 143.62 29.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.715 . . . . 0.0 110.872 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -80.44 -28.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.9 mt -86.18 132.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.1 99.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.2 mp -74.18 149.28 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.584 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.9 t0 -142.46 118.92 6.95 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.79 136.99 41.61 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.37 0.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -31.01 21.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.8 -74.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 17.4 p30 -143.94 150.86 39.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 35' ' ' THR . 68.5 tp -88.95 101.74 14.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -81.25 134.31 35.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -107.83 124.18 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -89.0 117.64 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.7 -162.3 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.33 71.34 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.333 0.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 24.7 m-85 -100.54 10.96 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -79.69 12.13 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -166.43 175.06 8.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.77 118.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.0 t -96.44 131.08 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -107.44 109.06 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.533 ' CG2' HD11 ' A' ' 23' ' ' LEU . 28.4 m -116.01 125.51 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 24.9 p30 -95.94 139.66 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.1 tt -115.11 113.12 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -81.06 132.92 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 36.7 mt -127.4 104.27 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.94 145.74 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 52.2 t-20 -120.88 98.84 47.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.23 4.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.7 p -53.15 152.91 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -94.5 29.41 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.5 ptm180 -151.02 155.57 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.72 160.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.1 t -154.57 120.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.2 m -78.54 147.08 33.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE1' HG13 ' A' ' 68' ' ' ILE . 24.9 p90 -149.66 140.24 22.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HE3' ' CD2' ' A' ' 113' ' ' TRP . 3.4 mtmp? -122.46 125.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.35 113.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -140.22 127.76 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -126.33 162.23 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -77.38 -11.13 59.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.26 58.72 3.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.562 0.696 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.53 37.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.203 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -21.63 33.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -119.9 21.96 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -144.87 133.17 21.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 m -127.19 94.11 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.776 HG12 HG22 ' A' ' 78' ' ' VAL . 5.1 m -95.09 131.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.0 mtp180 -148.02 121.58 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.8 Cg_endo -69.74 168.34 67.77 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.339 -0.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.78 -0.52 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.4 p -171.65 145.98 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.73 36.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt -126.73 138.38 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.61 HG23 HG23 ' A' ' 74' ' ' VAL . 68.9 mt -101.58 110.66 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.39 148.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.457 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.82 128.34 15.84 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.83 26.91 65.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -135.35 169.5 17.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.23 147.06 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 HG23 ' A' ' 68' ' ' ILE . 22.7 t -124.47 141.6 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 6.6 m -117.38 103.17 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.03 143.01 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.7 m -90.37 101.3 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 HG12 ' A' ' 61' ' ' VAL . 36.6 t -99.84 103.98 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -91.24 135.66 33.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -122.82 113.62 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.494 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.2 mp0 -61.71 142.78 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 125.38 12.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.6 t80 -118.01 137.26 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.98 119.76 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.0 126.71 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -104.18 151.64 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.748 ' CG2' HD12 ' A' ' 15' ' ' LEU . 41.5 p -151.29 144.92 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.669 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 tt -156.59 144.1 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -63.15 134.27 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.35 137.26 22.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.19 25.21 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.05 27.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 106' ' ' ILE . 4.9 p30 -96.01 -50.03 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.495 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.4 tt 33.64 51.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 t -40.7 -60.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.793 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.7 m-20 -112.06 143.8 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -49.54 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.21 -52.57 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.58 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 108' ' ' ASP . 24.9 t -56.27 -47.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CD2' ' HE3' ' A' ' 50' ' ' LYS . 75.1 m95 -66.76 -38.38 86.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -62.0 -54.28 43.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -62.34 -36.74 83.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.16 119.46 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -86.28 154.4 57.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -2.65 10.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -96.41 -25.66 15.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -103.84 -20.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.669 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.8 mt -69.21 133.9 48.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.7 mtm -107.18 122.92 47.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -112.63 171.77 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.8 t -144.04 123.35 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -86.28 119.48 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.2 tt -130.94 134.42 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.637 ' N ' HD23 ' A' ' 126' ' ' LEU . 16.4 ptt180 -106.92 133.71 51.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.17 139.65 30.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.806 HG12 ' OE1' ' A' ' 131' ' ' GLU . 3.1 t -118.49 146.41 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 32.9 m-85 -112.96 111.6 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.806 ' OE1' HG12 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -115.88 159.73 21.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.717 0.294 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.4 tp -105.21 14.93 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD12 ' CG2' ' A' ' 99' ' ' THR . 52.0 mt -132.18 131.18 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -92.54 98.57 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.88 150.97 45.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 9.9 t70 -144.44 118.89 5.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.7 137.26 42.8 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.338 -0.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.62 14.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 m -70.19 -75.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.4 p-10 -143.29 150.11 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.764 ' H ' HD21 ' A' ' 126' ' ' LEU . 35.8 tp -89.66 99.49 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 148.7 30.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.5 m-85 -120.44 125.93 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -85.59 116.77 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.53 -162.67 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.78 17.52 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.326 0.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CD2' ' CE ' ' A' ' 132' ' ' MET . 20.2 m-85 -107.32 10.6 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.8 p -71.11 -21.6 62.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.28 -179.6 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.91 129.89 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 34' ' ' THR . 92.0 t -98.74 155.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 33' ' ' VAL . 25.2 m -124.78 113.17 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -122.16 119.54 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -91.62 124.33 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.86 105.42 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -79.71 136.23 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -131.09 103.68 6.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -86.81 155.84 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -129.7 98.71 21.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -24.69 29.63 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -69.52 170.68 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.5 24.8 12.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.68 157.49 44.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.52 139.15 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.23 124.55 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 7.6 m -79.34 152.43 30.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -152.14 150.48 29.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 11.7 mtpt -134.47 119.88 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -81.27 128.24 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -149.88 119.71 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.531 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 9.1 t -119.7 162.17 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 p -52.61 -55.65 20.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -74.49 113.9 28.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.19 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' TYR . 32.8 mmt180 -94.96 -54.14 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.8 tpp85 -40.61 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CB ' HG21 ' A' ' 53' ' ' THR . 4.3 m-85 -123.6 126.59 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.53 109.82 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 51' ' ' VAL . 45.6 t -104.23 128.19 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.3 mtt-85 -148.29 124.19 5.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.72 146.26 81.61 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.39 -0.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.6 p-10 -79.69 -5.91 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -167.49 163.23 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -178.89 36.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.47 140.92 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.765 HG23 HG23 ' A' ' 74' ' ' VAL . 37.0 mt -104.58 112.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -46.4 151.39 1.0 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.02 4.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.09 53.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -128.41 -179.11 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.39 136.68 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.765 HG23 HG23 ' A' ' 68' ' ' ILE . 20.6 t -112.07 136.94 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -109.27 114.64 28.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.21 137.35 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -92.86 106.04 18.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -108.44 100.54 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 mtm -88.36 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 1.8 tt -117.58 114.18 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.41 142.84 81.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.1 t80 -146.15 127.2 14.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.7 mtm -131.53 152.26 50.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.05 147.97 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -110.23 146.51 35.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.493 ' CG2' HD12 ' A' ' 15' ' ' LEU . 60.7 p -145.84 141.01 27.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 tt -159.11 140.71 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.56 135.85 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.31 136.49 21.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.55 18.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ILE . 85.0 m-20 -109.68 -67.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.551 HG13 HG21 ' A' ' 112' ' ' VAL . 5.3 tt 37.6 44.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.4 m -54.74 -34.55 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -123.8 93.14 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.3 mtp -43.93 -42.53 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.38 -55.01 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.45 -49.19 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 106' ' ' ILE . 97.3 t -48.3 -54.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 79.8 m95 -53.96 -42.09 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -53.06 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.3 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.64 127.56 31.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -88.47 154.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -5.35 15.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.83 -17.89 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -111.36 -21.15 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.79 117.13 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.5 mtm -90.75 161.36 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.21 174.17 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.7 m -140.92 121.41 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -83.18 115.25 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.5 tt -133.92 155.13 50.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 1.034 ' N ' HD23 ' A' ' 126' ' ' LEU . 35.6 ttp180 -126.99 116.51 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.99 124.33 27.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.36 137.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -99.61 105.45 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.53 162.29 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.756 0.312 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.021 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -88.48 -31.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 HD12 ' A' ' 68' ' ' ILE . 73.9 mt -91.42 140.31 29.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.15 99.95 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 39' ' ' LEU . 1.9 mm? -66.65 134.03 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 37' ' ' LEU . 15.3 t70 -134.35 117.95 13.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.73 136.69 39.99 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.354 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' CA ' ' O ' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.74 -22.01 32.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -75.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 3.4 p-10 -141.78 144.72 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 35' ' ' THR . 44.3 tp -95.0 106.07 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -82.23 140.18 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.46 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 65.0 m-85 -112.7 126.63 55.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 114.29 22.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.81 -161.87 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 38.68 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.388 0.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 45.6 m-85 -102.68 3.66 37.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -70.77 -19.91 62.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -132.89 177.87 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.0 129.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 34' ' ' THR . 46.4 t -102.02 157.2 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.466 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.7 m -132.46 113.48 13.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.893 ' CG2' HD11 ' A' ' 23' ' ' LEU . 3.9 m -123.2 121.85 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 3.8 p30 -94.36 134.46 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.7 tt -118.21 115.46 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -84.66 142.84 29.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 17' ' ' LEU . 58.1 mt -136.6 106.38 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -85.12 151.89 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 64.5 t30 -129.41 102.53 18.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 54.1 Cg_endo -69.74 -32.94 17.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' HD11 ' A' ' 14' ' ' ILE . 88.0 p -61.31 162.17 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.46 23.17 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.0 ptm180 -138.62 151.34 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.65 152.11 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 14' ' ' ILE . 17.5 t -140.84 131.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 109' ' ' MET . 25.2 m -88.05 131.48 34.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.9 p90 -133.64 153.82 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -137.79 116.33 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.1 130.71 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -159.4 134.68 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' ALA . 7.2 t -135.3 150.05 49.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.8 p -40.58 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -106.41 87.87 2.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -35.06 13.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -94.89 -44.11 7.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.793 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.2 ttm180 -56.7 -30.94 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -115.42 136.8 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.9 t -121.46 91.86 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 78' ' ' VAL . 3.0 m -91.46 134.11 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 60.5 ttt180 -151.59 123.07 3.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.1 Cg_endo -69.73 155.28 93.25 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -90.58 -0.6 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -173.04 154.82 2.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 164.86 -178.47 39.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.6 mt -109.01 137.1 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.838 HD12 HD13 ' A' ' 15' ' ' LEU . 6.6 mt -99.43 109.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.8 151.19 1.65 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.9 Cg_endo -69.73 126.0 12.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.398 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.15 42.12 68.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m -145.2 162.13 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.08 129.51 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.536 HG21 HG12 ' A' ' 68' ' ' ILE . 57.8 t -111.59 136.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 3.4 m -112.44 114.94 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -95.8 134.82 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -80.64 96.52 6.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 61' ' ' VAL . 10.4 t -96.19 93.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -86.3 149.5 25.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.592 HD21 ' HE2' ' A' ' 83' ' ' PHE . 2.4 tt -124.6 116.36 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.76 142.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 138.01 36.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HE2' HD21 ' A' ' 80' ' ' LEU . 11.7 p90 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.851 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -138.46 117.21 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 12.5 mtm -120.99 125.24 46.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 136.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -100.73 141.33 33.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.2 p -144.17 140.3 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.574 HG22 ' CH2' ' A' ' 113' ' ' TRP . 5.7 tt -153.45 147.01 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 18.1 m-85 -65.32 141.26 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.63 28.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 159.15 54.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.82 29.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -124.96 18.32 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -39.59 127.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -119.39 -61.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -124.09 119.51 29.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 48' ' ' CYS . 3.5 mtt -46.54 -52.91 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.98 -38.92 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.76 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.94 -57.43 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.574 ' CH2' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -59.21 -37.83 78.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -63.04 -50.18 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.64 -32.72 71.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.55 136.21 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -88.82 152.63 49.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.2 30.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.42 -20.68 18.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -100.76 -21.71 15.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.93 132.76 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 57.9 mtm -102.74 156.78 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.27 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -138.87 122.17 17.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.75 112.09 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.5 tt -134.57 125.93 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.658 ' N ' HD23 ' A' ' 126' ' ' LEU . 29.5 ttm180 -98.33 130.39 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 48.2 m -87.72 134.4 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.5 t -117.82 129.76 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 43.8 m-85 -87.95 109.24 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -111.15 162.19 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.52 0.676 . . . . 0.0 110.928 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 2.9 tp-100 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tp -66.92 -37.92 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -90.76 131.33 36.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.6 t -90.77 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.05 156.67 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 19.9 m-20 -148.79 118.4 4.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.72 40.26 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -34.29 14.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -71.83 -75.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.11 151.83 40.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HE1' ' A' ' 25' ' ' PHE . 31.0 tp -95.62 101.39 13.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -85.9 138.5 31.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.434 ' HE1' HD23 ' A' ' 23' ' ' LEU . 15.8 m-85 -111.44 129.7 55.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -90.96 119.31 31.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.94 -161.13 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.93 88.92 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.349 0.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 66.9 m-85 -93.24 12.75 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -79.93 12.08 2.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -167.12 170.25 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 81' ' ' GLN . 67.8 t -55.5 121.68 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.27 142.64 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -115.06 129.42 56.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.8 m -130.36 123.03 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 122.62 33.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -104.72 108.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -79.74 129.01 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -120.97 103.69 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -85.93 137.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -117.03 98.86 52.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -34.97 13.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -58.02 159.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -106.85 42.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 146.44 15.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -47.36 140.5 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 101' ' ' PHE . 29.5 t -140.82 122.74 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 67.8 m -79.72 157.05 27.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -156.53 136.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 12.1 mtmt -119.68 123.22 43.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 61' ' ' VAL . 1.9 t -86.82 106.07 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -129.0 129.45 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 55' ' ' ALA . 14.4 t -141.2 163.64 32.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 54' ' ' THR . 2.2 p -66.88 -5.63 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.614 ' H ' HG23 ' A' ' 53' ' ' THR . . . -109.8 83.16 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.698 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -95.92 -46.31 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 48.0 mtt85 -54.26 -37.94 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -112.4 131.52 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.1 t -122.54 92.04 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 51' ' ' VAL . 38.3 t -87.12 130.87 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 2.4 mmt180 -147.01 121.84 5.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.5 Cg_endo -69.78 152.61 92.51 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.367 0.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -84.95 -4.28 59.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -172.08 172.83 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.81 -169.13 31.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -122.04 140.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.4 HD12 HD13 ' A' ' 15' ' ' LEU . 84.1 mt -102.04 117.02 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.2 153.66 1.62 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 111.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.52 38.61 12.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 m -139.75 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.53 135.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.34 136.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -107.34 104.13 13.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.6 t -87.51 136.94 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -96.6 107.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.16 94.18 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -79.64 98.05 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -88.39 116.02 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.659 ' OE1' HG22 ' A' ' 32' ' ' VAL . 22.3 mm-40 -65.56 157.18 79.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HD2' ' OE1' ' A' ' 81' ' ' GLN . 53.7 Cg_endo -69.76 150.09 67.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -145.52 117.25 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 20.5 mtm -121.78 138.01 54.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.95 129.42 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -99.71 147.32 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.3 p -150.31 144.89 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 tt -159.33 137.83 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.647 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.8 m-85 -48.54 148.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -111.88 133.34 21.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 159.38 53.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.12 3.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -86.93 14.48 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 112' ' ' VAL . 2.8 tt -39.28 103.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 t -91.05 -70.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.73 126.52 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -16.46 63.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -91.24 -29.19 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.97 85.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 106' ' ' ILE . 94.9 t -52.84 -46.23 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.514 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.5 m95 -68.19 -37.67 81.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -64.01 -59.22 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -58.65 -39.66 81.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.3 135.2 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -96.13 155.33 38.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -2.72 10.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.59 -11.67 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.74 -10.21 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.59 131.89 39.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -104.39 121.65 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 124' ' ' SER . 8.5 t70 -119.1 166.07 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 3.6 m -141.93 147.26 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -100.46 112.49 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.4 tt -127.8 129.36 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.456 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.4 ptm180 -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.56 117.78 20.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.04 145.1 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 8.8 m-85 -111.85 114.15 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.44 162.53 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 80.1 mmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.851 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 4.5 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.524 HD11 ' HB3' ' A' ' 43' ' ' SER . 9.0 tp -79.97 -34.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 99' ' ' THR . 12.5 mt -95.99 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 40' ' ' GLN . 2.4 p -83.43 111.08 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 mp -71.28 167.28 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -153.13 117.33 2.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.29 38.01 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.36 -0.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -35.0 13.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 m -68.37 -76.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.46 155.4 43.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' H ' HD21 ' A' ' 126' ' ' LEU . 40.3 tp -98.44 111.7 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -88.25 139.03 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.531 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 37.0 m-85 -112.61 114.56 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -81.06 120.98 25.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.01 -160.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 161.42 86.26 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.34 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 38.1 m-85 -95.33 33.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.4 p -103.44 -34.65 8.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -120.03 177.75 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.58 124.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.81 138.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.7 m -109.97 113.22 25.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.531 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 85.8 m -116.72 119.95 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 1.6 m-20 -94.16 121.87 36.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.76 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -84.07 129.68 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 53.9 mt -120.74 103.55 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.601 ' HB3' HG13 ' A' ' 16' ' ' VAL . 42.8 tt0 -86.85 154.79 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -134.43 98.69 13.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 -15.81 37.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' ' 14' ' ' ILE . 53.2 p -75.93 172.99 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.95 32.5 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 17.1 ptp180 -153.19 141.6 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -40.71 153.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 15' ' ' LEU . 62.6 t -145.94 130.04 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 80.6 m -88.66 126.24 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -128.19 132.49 48.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 22.1 mtmt -120.39 114.84 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 61' ' ' VAL . 20.1 t -77.43 106.09 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -109.99 118.68 37.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -141.13 141.09 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -83.94 23.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.97 63.23 55.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -73.4 -35.39 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -83.35 -56.25 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 5.5 m-85 -97.89 141.45 30.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 m -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 51' ' ' VAL . 65.2 t -88.97 129.47 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 7.4 tpt180 -152.06 121.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 156.22 92.96 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.323 0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -67.97 -25.86 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 p -171.87 174.26 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.27 -157.22 29.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.4 mt -122.63 142.07 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -106.01 124.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.97 151.53 55.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.18 10.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.93 33.74 65.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.6 m -137.85 170.97 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.5 133.75 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.03 134.97 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.9 m -107.02 104.55 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.67 151.13 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -98.76 98.85 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.4 95.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.03 153.45 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 81' ' ' GLN . 5.3 tt -134.77 122.71 22.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.501 ' O ' HD23 ' A' ' 80' ' ' LEU . 4.8 mp0 -66.24 142.08 97.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.87 24.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.16 113.75 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.0 146.28 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -139.8 121.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.6 138.93 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 15' ' ' LEU . 36.9 p -137.94 140.43 40.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 tt -151.36 137.4 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 14' ' ' ILE . 44.8 m-85 -50.55 143.65 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.87 145.18 31.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.77 19.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -103.69 28.34 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -45.86 126.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -115.96 -61.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.0 t0 -105.65 113.01 26.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.59 -55.83 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 10.0 pt-20 -51.92 -51.4 57.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 108' ' ' ASP . . . -49.49 -45.94 47.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 108' ' ' ASP . 92.2 t -52.54 -60.03 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 87.6 m95 -50.03 -44.19 51.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.2 -58.51 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -55.6 -37.08 67.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.03 133.2 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.34 155.5 38.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.54 -19.65 27.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -109.07 -26.47 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.64 133.66 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.0 ptp -127.63 132.02 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.94 167.38 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 121.45 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.96 106.83 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -119.84 131.46 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.523 ' N ' HD23 ' A' ' 126' ' ' LEU . 24.7 ttm180 -105.81 120.75 42.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.2 m -78.72 132.12 36.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.77 127.93 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 46.9 m-85 -90.27 112.49 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.544 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 25.4 mt-10 -100.97 148.08 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 ttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 110.84 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.722 0.296 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 15' ' ' LEU . 5.8 tp -84.35 -43.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 mt -83.74 125.17 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.5 t -86.41 101.84 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD23 ' A' ' 39' ' ' LEU . 5.8 mp -68.68 165.73 18.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 29.5 m-20 -153.9 117.69 2.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.68 39.89 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.355 -0.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -31.97 19.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.722 2.282 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -73.79 -75.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.0 p-10 -144.12 151.6 39.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.0 tp -99.15 108.35 20.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -86.84 141.5 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 23' ' ' LEU . 16.9 m-85 -111.53 122.71 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -85.45 112.64 21.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.09 -161.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.3 92.84 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.322 0.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 130' ' ' PHE . 27.1 m-85 -90.02 28.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.5 p -96.34 -36.55 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.97 174.64 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.79 121.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.53 149.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -122.51 110.07 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 23' ' ' LEU . 93.8 m -116.28 121.79 43.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 11.6 m-20 -91.96 121.4 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.05 114.36 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 18' ' ' ASP . 27.9 mttt -81.74 147.03 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 17' ' ' LEU . 13.4 mt -141.04 105.9 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -89.64 153.93 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 50.2 t-20 -124.47 98.72 37.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.703 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.6 Cg_endo -69.78 -21.54 33.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.7 p -81.22 156.95 25.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -100.04 35.54 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 47' ' ' VAL . 17.0 ptp180 -152.65 130.46 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HD3' HG21 ' A' ' 67' ' ' ILE . 47.9 mttt -36.67 147.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 45' ' ' ARG . 93.8 t -143.51 122.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -76.15 135.9 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -133.07 131.25 40.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 10.6 mmtt -114.04 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG21 ' A' ' 61' ' ' VAL . 30.7 t -87.23 123.87 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -142.84 133.1 24.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.6 t -136.3 149.78 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 49.2 p -53.26 -28.5 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.7 73.46 1.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.93 33.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -95.74 -26.5 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 22.6 ttm105 -107.28 36.1 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.756 ' CE1' HD23 ' A' ' 80' ' ' LEU . 5.6 m-85 -153.2 139.38 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.96 101.42 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 51' ' ' VAL . 99.2 t -104.2 132.37 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 41.3 ttt-85 -152.31 122.29 3.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.717 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.81 150.77 90.81 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.3 0.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.01 -28.59 70.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 p -172.58 156.34 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.6 -157.52 18.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.457 HG21 ' HD3' ' A' ' 46' ' ' LYS . 55.4 mt -124.07 143.63 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 74' ' ' VAL . 56.9 mt -108.96 112.33 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -48.11 152.18 1.54 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 122.65 9.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.21 39.03 24.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -146.72 169.06 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.1 mt -125.14 133.53 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.498 HG23 HG23 ' A' ' 68' ' ' ILE . 92.8 t -113.34 135.06 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 11.6 m -105.51 103.67 13.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.17 137.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 m -86.52 120.91 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.92 98.84 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -90.28 122.99 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.756 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -108.35 113.69 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.5 mp0 -59.38 141.05 87.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.19 64.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.39 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.11 121.14 44.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -118.61 103.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.7 t -97.41 132.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -98.76 146.65 25.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.8 p -148.55 129.24 14.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.2 tt -141.98 140.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 35.6 m-85 -58.14 139.13 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.56 139.33 20.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.551 0.691 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.88 58.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.377 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.13 26.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -104.96 19.27 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.5 tt -41.74 123.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -122.9 -69.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.672 ' HB2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 m-20 -87.89 92.72 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -48.31 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -54.25 -44.24 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.72 -53.33 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 50' ' ' LYS . 16.2 m95 -54.57 -41.9 70.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -64.04 -55.97 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -56.75 -39.01 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.71 123.29 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -86.81 155.29 55.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.22 29.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.31 -23.46 51.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -103.48 -26.8 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.58 123.0 18.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.3 mtm -98.39 148.98 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 175.71 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -139.03 134.09 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -93.91 106.85 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -122.88 135.76 54.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.61 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.5 ptp180 -103.12 132.44 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.02 131.21 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.6 t -114.29 114.22 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.467 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 17.7 m-85 -87.51 107.67 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -107.84 164.38 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.8 mtp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.924 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 43' ' ' SER . 2.0 tp -81.05 -22.79 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD13 HD12 ' A' ' 68' ' ' ILE . 43.7 mt -94.99 177.13 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.45 113.63 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD13 HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.55 151.55 36.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.4 t0 -149.64 116.4 3.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.6 Cg_endo -69.75 137.43 43.79 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.332 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.85 15.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.7 m -72.04 -75.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -143.76 148.09 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 35' ' ' THR . 47.5 tp -92.26 103.27 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.93 139.18 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -116.22 116.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -81.71 121.92 26.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.08 -158.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.89 65.85 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.348 0.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 33.6 m-85 -99.68 11.61 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -97.06 -17.19 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 12.7 t0 -135.22 178.13 7.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.07 133.13 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 34' ' ' THR . 59.5 t -103.59 162.97 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.598 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.6 m -133.8 113.18 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 23' ' ' LEU . 17.7 m -126.83 121.02 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -94.09 129.53 40.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -112.39 114.48 27.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -87.4 147.82 25.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD21 HD13 ' A' ' 17' ' ' LEU . 10.7 mt -138.76 107.18 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.78 148.2 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 50.4 t30 -128.49 98.79 24.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.7 Cg_endo -69.75 -30.93 21.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.2 p -64.16 158.07 23.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -105.13 34.98 2.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.9 ptt180 -148.27 137.56 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -45.73 138.74 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 45' ' ' ARG . 87.0 t -133.73 125.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.34 147.42 27.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -148.21 141.27 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -122.15 111.31 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 HG11 ' A' ' 61' ' ' VAL . 15.3 t -77.32 105.9 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -128.24 127.19 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 55' ' ' ALA . 2.8 t -126.78 153.35 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.8 p -64.77 -20.46 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -112.12 73.34 1.28 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.83 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -80.5 -1.01 39.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.8 ttp180 -114.11 -15.91 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.31 132.45 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -112.25 95.31 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.74 HG22 HG13 ' A' ' 78' ' ' VAL . 83.6 t -97.9 132.72 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.1 ttt85 -152.43 121.92 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.72 161.15 86.65 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.36 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.27 -16.65 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 p -164.99 167.04 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.23 -166.09 35.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 26.1 mt -124.03 142.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.537 HD12 HD13 ' A' ' 15' ' ' LEU . 54.1 mt -103.13 118.11 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.41 147.86 2.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.75 107.24 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.8 36.66 6.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.0 m -146.35 168.49 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mt -119.59 134.2 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 68' ' ' ILE . 25.0 t -110.93 136.46 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -110.91 104.13 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 77' ' ' SER . 40.7 t -87.8 157.02 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' VAL . 64.8 m -103.69 122.95 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 61' ' ' VAL . 5.2 t -126.41 95.21 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 mtm -89.35 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tt -100.46 121.81 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.28 144.79 87.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.74 128.33 15.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.8 t80 -125.46 126.37 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.9 mtm -133.46 134.86 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 142.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.74 133.89 52.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.2 p -138.34 136.04 35.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.449 ' HA ' ' CE ' ' A' ' 122' ' ' MET . 2.3 tt -153.1 139.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HG12 ' A' ' 14' ' ' ILE . 57.3 m-85 -50.05 153.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.08 138.13 19.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 167.74 23.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.69 27.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' SER . 91.5 m-20 -107.78 13.7 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 106' ' ' ILE . 4.1 tp -37.2 94.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' ASN . 2.9 m -119.33 -49.29 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -102.49 96.66 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 58.6 mmm -50.48 -56.86 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.74 -46.02 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.83 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.56 -55.5 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.28 -33.44 67.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -65.65 -55.49 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.47 -37.66 88.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 130.75 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -93.89 153.78 40.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.33 15.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.08 -21.47 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -107.0 -27.73 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 128.56 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 100' ' ' ILE . 23.7 mtm -99.67 146.23 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.74 165.12 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -131.99 116.5 17.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.44 114.89 22.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.774 HD23 ' C ' ' A' ' 126' ' ' LEU . 2.4 tt -143.48 131.85 22.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.461 ' N ' HD23 ' A' ' 126' ' ' LEU . 22.3 ttm105 -104.07 137.64 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.7 m -83.53 135.77 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.55 121.03 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -87.55 113.56 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -105.81 147.45 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 13.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.727 0.298 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -99.61 -35.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 99' ' ' THR . 12.0 mt -95.18 124.09 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.4 m -89.13 143.17 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 17' ' ' LEU . 5.0 mp -108.75 163.74 13.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 24.5 t70 -148.34 117.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.81 40.69 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.315 0.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -33.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -68.23 -77.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -144.13 153.77 42.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 126' ' ' LEU . 27.4 tp -90.61 111.46 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' CD ' ' HB ' ' A' ' 129' ' ' VAL . 1.3 mmmm -89.76 140.17 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -117.52 129.76 56.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -89.78 109.42 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.22 -162.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 175.2 37.44 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 23.7 m-85 -103.05 15.01 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -87.93 -5.86 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -144.46 162.64 36.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.55 119.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.43 145.03 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 126.43 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -129.0 139.93 51.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -104.21 128.87 51.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.87 104.19 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -75.76 135.61 40.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.4 mt -127.96 103.83 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 10.0 tt0 -88.08 145.31 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 47.7 t-20 -115.74 98.87 51.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 -31.11 21.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -61.37 166.29 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -102.35 19.98 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -145.51 163.43 34.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 24.0 mtpt -62.89 148.44 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.458 ' HB ' HD11 ' A' ' 15' ' ' LEU . 47.8 t -140.47 121.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 85.3 m -75.08 125.76 29.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.7 p90 -117.35 136.01 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 23.6 mmtt -120.17 121.93 39.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 61' ' ' VAL . 6.4 t -97.61 112.84 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -148.88 127.19 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' ' 95' ' ' PHE . 4.0 t -119.98 168.48 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -77.0 -15.8 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.93 62.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.36 26.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.04 -18.87 64.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -124.44 23.74 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -146.4 123.98 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.5 m -123.53 92.17 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 51' ' ' VAL . 95.3 t -90.21 136.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.7 ttm180 -148.26 121.08 4.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.82 155.29 93.49 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.333 0.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -80.94 -19.92 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.57 161.81 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.48 -162.41 35.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 71.3 mt -115.5 144.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 49' ' ' PHE . 66.1 mt -112.19 114.18 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -48.7 151.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.67 21.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.626 2.218 . . . . 0.0 112.305 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.5 38.29 95.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -139.01 170.97 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -124.42 134.1 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 HG12 ' A' ' 68' ' ' ILE . 21.6 t -112.74 136.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -105.72 99.92 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.07 137.37 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -92.36 106.89 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 61' ' ' VAL . 48.3 t -99.57 94.55 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -77.7 126.94 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -115.86 113.02 22.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' N ' HD22 ' A' ' 80' ' ' LEU . 12.3 mm-40 -66.44 156.66 85.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.66 45.75 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' HZ ' HG21 ' A' ' 61' ' ' VAL . 4.8 t80 -133.39 115.92 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -102.9 132.5 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.7 t -122.84 126.43 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -102.97 138.95 39.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.495 HG21 ' HB2' ' A' ' 15' ' ' LEU . 53.3 p -140.36 137.11 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.46 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 4.3 tt -157.5 136.56 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -51.31 155.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 137.75 20.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.504 0.669 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.49 53.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -44.65 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.85 29.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 tt -54.29 112.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.6 m -111.33 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.4 m-20 -96.6 88.72 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -37.73 -53.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -53.57 -52.39 59.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.443 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -45.02 -50.17 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.45 -54.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CZ3' ' CG2' ' A' ' 100' ' ' ILE . 55.7 m95 -57.43 -41.25 80.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -60.27 -59.22 5.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.28 -36.94 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 133.66 6.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -91.33 151.2 42.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.75 29.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.331 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' C ' ' OE1' ' A' ' 120' ' ' GLU . 3.8 m-20 -98.53 -18.08 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -103.07 -18.3 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.83 125.95 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -91.96 129.41 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.43 157.86 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -138.86 127.57 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.2 116.25 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 126' ' ' LEU . 67.7 ttt180 -101.13 137.33 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.8 m -100.4 123.49 44.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.477 ' HB ' ' CD ' ' A' ' 24' ' ' LYS . 20.2 t -95.12 129.03 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -97.83 108.94 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 7.9 mt-10 -105.01 167.15 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 mtp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.695 . . . . 0.0 110.856 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 tp -79.73 -36.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 HD12 ' A' ' 68' ' ' ILE . 10.0 mt -85.7 120.19 26.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.33 104.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -70.08 163.1 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -147.02 117.12 4.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.554 0.692 . . . . 0.0 110.846 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 54.1 Cg_endo -69.75 136.97 41.38 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.24 29.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -83.48 -76.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -144.67 154.54 42.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.7 HD11 ' CG2' ' A' ' 35' ' ' THR . 57.6 tp -96.11 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -96.58 139.83 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 23' ' ' LEU . 69.7 m-85 -117.68 105.95 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -73.09 119.45 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.33 -160.39 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.19 86.62 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.341 0.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 34.2 m-85 -91.05 2.46 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -58.81 -23.07 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 5.1 t0 -136.21 -174.72 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.99 128.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 34' ' ' THR . 42.2 t -100.2 156.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.3 m -117.12 105.81 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.7 ' CG2' HD11 ' A' ' 23' ' ' LEU . 82.0 m -110.93 129.37 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -103.18 120.36 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.5 tt -103.46 104.11 14.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 73' ' ' ILE . 43.0 mtpt -79.28 145.54 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 16.9 mt -131.01 106.13 8.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.23 148.9 24.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -126.85 98.8 30.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.78 34.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -70.19 162.08 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.8 25.78 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.4 ptp85 -146.01 157.76 43.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -61.14 155.67 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.07 125.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 23.0 m -80.01 139.56 36.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.1 137.77 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 26.6 mtmt -127.44 121.94 32.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.58 HG21 HG11 ' A' ' 61' ' ' VAL . 16.4 t -78.05 127.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -147.08 119.61 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -136.8 167.34 21.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.8 p -63.97 -14.28 52.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -115.45 80.06 7.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -88.33 -58.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.2 ttt180 -38.74 -37.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CE1' HD23 ' A' ' 80' ' ' LEU . 8.4 m-85 -105.32 152.92 22.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -127.18 92.0 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 HG21 ' A' ' 51' ' ' VAL . 97.2 t -91.34 128.68 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.7 mtp180 -146.97 123.04 5.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.76 156.26 92.88 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.347 0.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.1 p -172.03 163.79 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.89 -159.89 32.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mt -129.28 144.97 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 HD13 ' A' ' 15' ' ' LEU . 45.6 mt -108.02 123.06 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -52.71 157.23 2.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.3 Cg_endo -69.79 121.63 8.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.61 39.73 67.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.0 m -138.87 164.95 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 38' ' ' LYS . 59.7 mt -119.44 132.86 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 68' ' ' ILE . 88.4 t -113.97 127.74 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.92 109.89 21.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.36 145.12 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 m -99.93 102.78 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -105.94 91.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -82.17 111.33 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -94.13 111.65 23.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.492 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mm100 -66.32 155.89 86.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.487 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.74 134.46 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 1.1 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -143.31 120.98 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -118.88 148.02 43.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.16 131.44 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.62 125.43 50.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -128.53 144.28 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.7 tt -159.69 139.74 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -52.88 145.69 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -106.94 133.47 20.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.32 57.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -35.34 12.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -95.88 25.05 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 106' ' ' ILE . 2.2 tt -51.27 101.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.9 m -95.42 -64.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 112' ' ' VAL . 65.4 m-20 -100.77 126.0 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.4 tpt -68.44 -38.94 81.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -69.66 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.25 95.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 108' ' ' ASP . 62.0 t -62.68 -51.97 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.512 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 66.7 m95 -60.44 -26.54 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -76.51 -56.09 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.35 -36.95 83.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.09 119.46 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -85.94 155.73 58.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.78 19.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -89.42 -16.04 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -114.06 -9.93 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.636 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.1 mt -82.27 137.63 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -110.87 120.4 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 124' ' ' SER . 10.3 t70 -105.79 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 35.0 m -140.13 120.2 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -85.6 112.37 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.7 tt -121.6 143.41 49.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.754 ' N ' HD23 ' A' ' 126' ' ' LEU . 52.2 ttt180 -111.26 106.7 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.77 116.25 9.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.54 129.87 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 80.9 m-85 -93.0 110.85 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.69 157.67 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 18.0 mtp . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.772 0.32 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.045 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -109.27 -27.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.865 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.1 mt -104.3 129.57 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.66 104.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.37 159.15 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.0 m-20 -153.96 119.07 2.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.73 136.22 37.67 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.386 -0.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.43 12.75 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -67.96 -76.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.34 156.07 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 17.3 tp -98.88 105.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -81.43 153.04 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.71 109.62 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -73.3 118.74 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.77 -160.93 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.15 33.71 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.387 0.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 24.3 m-85 -103.28 21.45 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t -88.73 -16.57 31.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.18 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.91 119.61 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.9 t -102.11 117.05 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -93.85 120.94 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -107.56 143.22 36.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -99.76 120.4 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.17 101.28 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -78.12 149.07 33.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 mt -134.81 104.58 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -84.66 153.89 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HA ' HD23 ' A' ' 15' ' ' LEU . 50.1 t30 -132.5 103.12 13.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.12 6.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.845 ' HB3' HD11 ' A' ' 14' ' ' ILE . 96.8 p -53.49 176.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.08 22.28 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.5 ptp180 -140.86 148.83 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -52.61 136.34 32.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 101' ' ' PHE . 99.0 t -131.16 135.87 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.3 m -86.55 146.88 26.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.48 ' CD1' HG13 ' A' ' 68' ' ' ILE . 18.6 p90 -148.6 130.96 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 46.1 mttt -117.29 145.45 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 61' ' ' VAL . 2.0 t -110.4 123.72 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 133.53 20.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.5 t -132.96 165.44 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -80.44 -11.89 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.59 62.0 23.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.553 0.692 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -40.59 5.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -58.43 -15.77 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -113.36 -28.67 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.14 124.22 49.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.71 94.25 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 46.5 t -87.36 123.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 17.4 mmm180 -138.72 123.21 11.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.78 161.92 85.25 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.361 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -98.78 -0.44 42.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -174.78 150.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.48 -160.68 32.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mt -128.19 138.9 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 49' ' ' PHE . 68.3 mt -101.88 124.02 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.12 152.47 29.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.43 53.24 3.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 m -155.96 163.17 40.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 88.8 mt -113.75 128.75 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.8 t -110.9 125.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.67 118.58 31.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.435 HG13 ' HD2' ' A' ' 63' ' ' PRO . 23.3 t -99.69 153.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.46 104.86 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 61' ' ' VAL . 22.2 t -96.1 93.74 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.452 ' CE ' ' HB2' ' A' ' 62' ' ' ARG . 5.1 mpp? -75.5 112.39 11.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.6 tm? -107.24 112.85 25.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.496 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mp0 -71.06 143.68 89.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 148.83 65.76 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -118.7 126.98 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -128.63 140.37 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.7 t -127.25 129.48 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -101.9 153.03 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.865 ' CG2' HD12 ' A' ' 15' ' ' LEU . 31.6 p -152.46 130.19 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.43 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -147.81 129.29 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 47' ' ' VAL . 39.0 m-85 -44.3 154.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.42 20.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.705 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.43 30.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.71 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.08 21.55 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.482 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.6 tp -43.94 104.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -122.4 -54.46 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.2 92.87 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.7 mtp -50.44 -44.25 55.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.77 -37.99 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.47 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 106' ' ' ILE . 15.9 t -58.15 -62.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 96.3 m95 -49.92 -32.76 15.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -70.2 -58.04 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.91 -29.45 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.37 125.39 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -85.77 155.7 58.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.43 10.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.35 -18.89 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -108.59 -13.29 14.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.29 127.78 33.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.42 136.07 38.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.45 168.2 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.0 p -141.76 124.71 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -82.89 113.76 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.9 tt -129.69 151.03 50.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.885 ' N ' HD23 ' A' ' 126' ' ' LEU . 14.4 ptt85 -126.93 141.75 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.9 m -100.74 127.92 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.4 t -96.43 141.03 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -101.44 105.14 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -110.61 149.43 30.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ptm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -151.53 118.79 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -50.52 124.56 10.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.22 110.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -100.48 137.99 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 p -110.3 89.98 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.33 151.74 28.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mmt -111.06 123.11 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.67 174.23 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -99.36 114.76 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 6.0 p-80 -154.46 121.53 5.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.78 99.41 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.38 145.46 50.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 tp -107.5 -33.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 HD12 ' A' ' 68' ' ' ILE . 9.9 mt -90.61 125.24 35.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.34 104.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.5 mp -69.68 148.1 49.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.8 m-20 -142.32 119.58 7.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 54.4 Cg_endo -69.72 137.22 42.61 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.36 0.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.72 21.9 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.377 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 m -76.56 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -142.96 147.71 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 35' ' ' THR . 22.4 tp -96.44 107.11 19.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.48 154.27 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -129.38 117.82 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -81.83 117.3 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.29 0.27 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -177.25 14.15 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.364 0.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 20.8 m-85 -103.9 -17.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -83.06 9.7 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 10.0 t70 -149.84 168.05 24.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.35 130.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 26' ' ' LYS . 14.8 t -103.77 160.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.479 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.0 m -139.89 111.67 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 ' CG2' HD11 ' A' ' 23' ' ' LEU . 15.4 m -126.97 122.48 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.63 128.74 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -108.15 113.95 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -85.02 131.81 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 25.9 mt -123.58 105.41 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -87.51 144.74 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -123.92 98.83 38.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.26 24.06 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -62.89 167.38 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -112.77 26.47 10.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.5 ptp180 -141.8 148.26 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' HG21 ' A' ' 67' ' ' ILE . 79.3 mttt -50.36 147.51 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 45' ' ' ARG . 51.9 t -146.26 133.52 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -93.84 140.44 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -128.48 135.45 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HG3' ' CD2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -116.65 108.21 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 61' ' ' VAL . 29.6 t -76.31 118.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -138.59 128.63 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -127.15 165.88 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -78.57 -13.12 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.72 66.41 64.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.0 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -89.13 -31.17 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -108.63 24.73 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -143.13 131.62 22.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -122.78 94.09 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 51' ' ' VAL . 90.5 t -94.76 132.77 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.46 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 26.5 ttt85 -153.32 123.22 3.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.77 147.4 84.59 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.331 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.98 -3.93 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 96.0 p -172.84 173.64 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.0 27.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' LYS . 27.0 mt -115.65 134.17 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD12 HD13 ' A' ' 15' ' ' LEU . 78.5 mt -98.4 108.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.71 151.73 0.31 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.74 122.59 9.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.383 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 39.68 29.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.1 m -145.42 165.49 28.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.04 138.54 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 68' ' ' ILE . 37.1 t -114.84 140.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.7 m -107.92 101.68 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.445 ' CG1' HG13 ' A' ' 61' ' ' VAL . 84.2 t -87.38 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.8 m -95.58 110.57 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 61' ' ' VAL . 43.5 t -109.51 92.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.6 mtm -84.03 130.34 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 ' HE2' ' A' ' 130' ' ' PHE . 1.2 tt -103.48 117.97 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.64 143.65 86.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.72 119.76 6.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -141.34 164.96 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -68.92 95.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -82.15 139.38 34.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 88' ' ' ASN . 2.5 t70 -110.32 138.77 20.98 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -22.71 31.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.441 ' CG ' ' OD1' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -107.89 35.47 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.01 151.64 46.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -93.69 155.19 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.7 m -78.87 69.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' HIS . 18.4 mmmt -99.86 -64.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' LYS . 23.1 m80 -37.97 148.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -152.94 152.38 31.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.18 112.64 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtm -111.0 119.43 39.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.55 126.57 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -98.73 140.26 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.0 p -142.22 139.23 31.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.546 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -157.06 137.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -52.37 156.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.3 141.56 23.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.1 22.53 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.59 29.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 23.9 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 4.3 tp -47.51 97.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.2 m -111.7 -57.67 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.4 t0 -102.33 115.38 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.42 ' SD ' HD11 ' A' ' 106' ' ' ILE . 73.1 mmm -68.39 -50.0 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.34 -29.35 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.29 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 106' ' ' ILE . 51.3 t -66.79 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.546 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 82.3 m95 -53.29 -30.79 40.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -72.69 -55.57 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.97 -37.19 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.33 130.44 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -89.63 153.33 47.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.07 -10.96 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -114.75 -26.57 7.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.69 125.52 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -94.52 133.57 37.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.6 168.89 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -139.81 135.05 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.6 tt -127.93 149.86 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.958 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -119.57 136.99 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 91.1 m -93.91 119.31 32.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.42 123.36 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 4.4 m-85 -89.77 114.1 25.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -105.71 167.55 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.542 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 5.7 mmt -107.91 147.22 35.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 135' ' ' GLU . 54.0 Cg_endo -69.7 -23.24 31.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -52.61 87.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 133' ' ' PRO . 0.1 OUTLIER -76.74 168.49 19.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -113.38 -45.05 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.14 117.08 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -39.54 141.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 139' ' ' LEU . 10.1 tt -123.39 131.07 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -124.03 -38.79 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -159.71 162.98 35.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.4 m -94.23 35.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -178.59 -95.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.59 41.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 m -91.36 -39.73 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 31.4 p -46.14 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -123.7 151.58 43.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -113.96 140.63 48.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -131.27 0.94 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 t -122.83 115.22 21.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -61.49 -54.88 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.68 173.62 42.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.74 131.74 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.14 157.35 45.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -115.07 90.74 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -173.44 159.74 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -160.23 147.63 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -154.92 149.91 26.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -68.76 -39.34 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD12 ' CG2' ' A' ' 99' ' ' THR . 66.1 mt -82.61 121.96 27.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.68 98.73 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 97' ' ' VAL . 4.8 mp -64.82 160.93 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 26.2 t0 -152.92 118.18 2.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.76 136.62 39.67 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.365 0.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.12 25.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.8 m -77.99 -75.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.92 148.5 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.673 ' H ' HD21 ' A' ' 126' ' ' LEU . 30.1 tp -89.03 92.53 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.94 148.58 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.9 m-85 -124.19 121.3 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -79.58 113.76 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.25 -161.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.16 33.64 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 0.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 64.2 m-85 -101.35 4.48 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -84.38 13.75 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -163.06 164.37 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG22 ' HD3' ' A' ' 82' ' ' PRO . 59.2 t -58.04 125.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 34' ' ' THR . 88.3 t -105.61 157.81 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.495 ' N ' HG12 ' A' ' 33' ' ' VAL . 9.4 m -128.52 124.11 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -132.79 123.8 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 5.4 p-10 -90.8 132.98 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.18 103.68 13.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.56 129.42 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' A' ' 17' ' ' LEU . 15.0 mt -122.91 107.14 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 41' ' ' ASN . 1.3 tm0? -88.6 146.38 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.5 ' H ' ' NE2' ' A' ' 40' ' ' GLN . 36.3 t-20 -126.35 98.8 31.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -19.54 35.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -75.44 165.32 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -107.44 14.46 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 ptt-85 -128.53 133.93 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -42.55 137.76 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 45' ' ' ARG . 57.9 t -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 62.6 m -81.45 137.42 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.5 p90 -134.66 133.42 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 24.4 mttm -113.22 119.45 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 61' ' ' VAL . 2.4 t -88.42 123.66 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -157.42 121.93 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 3.0 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -71.37 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' HH11 ' A' ' 58' ' ' ARG . . . -115.41 67.15 2.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.76 27.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -63.41 -28.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.577 ' HD2' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -109.77 0.98 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 58' ' ' ARG . 6.5 m-85 -119.37 131.34 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -123.16 95.98 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 51' ' ' VAL . 92.5 t -99.26 128.44 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 51.4 ttt180 -146.48 123.92 6.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 149.18 88.25 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.303 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -77.27 -13.62 59.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -168.48 161.56 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.85 -154.96 25.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -132.32 137.83 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 HD13 ' A' ' 15' ' ' LEU . 66.2 mt -100.99 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' ILE . 29.4 m-20 -36.9 149.86 0.16 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 113.78 3.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.69 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -140.62 -179.45 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG1' ' HG2' ' A' ' 40' ' ' GLN . 18.6 mt -130.11 135.92 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.96 135.11 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 25.1 m -109.61 101.35 10.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 61' ' ' VAL . 60.3 t -83.34 151.22 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 m -99.1 104.42 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 61' ' ' VAL . 21.7 t -106.76 93.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.98 130.34 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -103.56 111.57 24.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 4.4 mm-40 -58.37 154.15 34.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.655 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -157.37 153.5 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -71.37 108.09 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 9.9 t80 -57.03 101.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.65 92.15 45.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.828 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -38.92 7.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -52.47 -20.89 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.96 57.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -93.71 42.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -40.32 -55.33 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -172.37 117.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -153.06 119.37 5.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -151.49 -179.5 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.502 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 7.7 t80 -129.86 124.08 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.12 130.97 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 17' ' ' LEU . 63.6 t -130.45 120.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -101.91 148.81 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.72 ' CG2' HD12 ' A' ' 15' ' ' LEU . 2.3 p -150.21 140.42 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.9 tt -158.07 151.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' N ' ' CG1' ' A' ' 100' ' ' ILE . 40.8 m-85 -68.03 143.98 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.2 139.57 21.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.29 46.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -83.47 21.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.52 117.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -106.93 -61.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -123.3 111.99 17.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 49.9 mtp -47.45 -38.24 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.63 -47.2 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.33 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.57 -59.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.6 m95 -49.72 -41.32 43.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.67 -55.5 26.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.56 -34.77 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.34 133.09 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -93.22 155.76 40.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.67 19.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -97.33 -9.35 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.43 -23.07 9.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 137.16 44.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.3 mpp? -108.46 142.06 39.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -122.14 170.79 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -141.81 123.61 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -87.86 111.22 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.0 tt -123.86 140.67 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.783 ' N ' HD23 ' A' ' 126' ' ' LEU . 34.5 ttm-85 -115.82 117.23 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.45 135.2 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.17 125.74 66.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 52.2 m-85 -89.29 107.96 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.547 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 8.0 mt-10 -101.12 165.59 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 29' ' ' PHE . 33.5 mtp -138.87 144.07 39.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.33 63.53 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.66 120.52 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -48.39 139.82 8.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.83 158.48 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 138' ' ' LYS . 29.2 t70 -93.7 147.12 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 ptmm? -37.52 109.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.6 tp -148.23 109.58 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.33 101.39 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.68 -46.76 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 39.6 m -63.95 103.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -123.54 -84.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -0.28 6.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.4 m 55.31 44.46 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.8 t -157.34 115.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 p -168.6 161.06 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.809 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -164.57 167.74 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.06 176.84 19.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -158.7 143.64 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -95.4 -47.1 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.52 144.14 11.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptm -145.46 124.75 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.89 171.5 13.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.68 150.57 51.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -95.98 54.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.32 37.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -148.17 145.64 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.596 HD13 ' HZ ' ' A' ' 101' ' ' PHE . 6.8 tp -74.59 -37.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 68' ' ' ILE . 72.5 mt -89.95 131.03 36.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -86.04 107.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.6 mp -72.69 157.64 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -149.13 118.25 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.77 136.73 40.27 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.308 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -24.07 30.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -82.73 -76.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 14.9 m-20 -144.17 152.97 41.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' A' ' 25' ' ' PHE . 27.0 tp -94.3 112.43 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -92.32 139.27 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' HE1' HD23 ' A' ' 23' ' ' LEU . 29.6 m-85 -113.87 120.69 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.78 120.41 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 28' ' ' PRO . . . -63.85 -158.5 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HB2' HG22 ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.73 158.64 90.71 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.299 0.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 21.7 m-85 -92.13 30.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 28' ' ' PRO . 10.0 t -107.98 0.54 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -149.72 178.78 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.28 118.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -96.63 147.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -124.47 113.23 17.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -118.97 123.99 45.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 3.3 m120 -92.85 131.51 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.3 tt -111.12 110.67 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -79.69 133.38 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.2 mt -125.93 105.93 9.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.65 155.7 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' HA ' HD23 ' A' ' 15' ' ' LEU . 30.6 t-20 -134.38 98.81 13.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -34.32 14.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 14' ' ' ILE . 33.8 p -62.73 155.67 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.71 25.0 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.2 ptp180 -138.73 143.29 39.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.509 ' HD3' HG21 ' A' ' 67' ' ' ILE . 66.0 mttt -45.54 150.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' ARG . 90.7 t -146.21 121.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -83.57 132.02 34.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CE2' HG13 ' A' ' 68' ' ' ILE . 30.3 p90 -128.2 146.91 50.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 18.9 mtpt -133.2 123.99 26.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.46 120.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.64 120.63 24.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -136.01 144.64 45.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.3 p -65.45 -6.92 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -107.43 82.39 1.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -41.7 4.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -94.61 -43.39 8.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.729 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 12.2 mmt180 -62.18 -35.62 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 130' ' ' PHE . 10.9 m-85 -119.87 125.71 49.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.86 112.2 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 78' ' ' VAL . 81.8 t -108.69 129.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -148.07 123.94 5.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.71 153.02 92.71 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.351 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.98 -7.69 59.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -171.55 165.16 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.67 -169.87 35.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.509 HG21 ' HD3' ' A' ' 46' ' ' LYS . 38.1 mt -117.46 138.52 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.535 HD12 HD13 ' A' ' 15' ' ' LEU . 32.5 mt -101.92 113.18 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.04 145.26 9.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.71 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 27.2 29.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.9 m -137.82 168.39 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.4 134.09 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.22 132.3 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 4.2 m -105.39 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 61' ' ' VAL . 85.8 t -83.55 143.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -91.92 109.32 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 61' ' ' VAL . 11.8 t -109.47 94.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -82.43 135.46 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -121.26 112.83 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.1 mp0 -69.38 144.13 94.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.4 47.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.244 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -154.69 162.84 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.35 105.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.84 111.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.44 92.17 6.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -46.34 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -130.26 9.13 5.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -93.66 83.25 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 39.78 51.04 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.8 p -69.93 140.27 53.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -153.33 131.89 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 14.6 p-80 -166.56 129.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HE2' ' CE ' ' A' ' 125' ' ' LYS . 13.2 ttmt -140.81 145.13 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -149.51 106.55 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.57 156.09 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.7 t -137.62 141.01 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.68 146.07 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.428 ' CG2' HD12 ' A' ' 15' ' ' LEU . 40.4 p -148.45 117.74 6.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.513 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 5.0 tt -133.83 141.49 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 74.6 m-85 -56.83 149.55 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.81 138.94 24.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 161.28 46.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -11.91 31.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -126.25 27.04 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.49 HD12 HG21 ' A' ' 112' ' ' VAL . 3.0 tt -50.52 99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.8 m -93.94 -56.66 2.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -126.81 130.13 49.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.5 mmm -47.36 -51.94 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.08 -41.41 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.05 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 106' ' ' ILE . 41.2 t -65.38 -58.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 88.2 m95 -58.93 -34.46 71.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.47 -55.52 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.49 -32.6 74.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.39 130.56 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -91.84 153.67 43.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.06 22.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -97.44 -4.41 38.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.44 -19.19 6.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.32 121.03 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -89.79 125.94 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.23 151.26 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -134.71 112.84 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' CE ' ' HE2' ' A' ' 94' ' ' LYS . 15.8 tptt -83.09 109.71 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.623 HD23 ' C ' ' A' ' 126' ' ' LEU . 6.6 tt -113.62 134.64 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.452 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.2 ttm180 -99.71 137.84 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.18 126.85 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.31 112.45 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 22.3 m-85 -86.19 104.62 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.573 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 64.7 mt-10 -97.18 167.21 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.4 mmm -113.78 143.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.06 6.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.393 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -38.46 -40.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -109.3 118.78 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -120.28 97.72 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -75.35 170.34 16.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -110.73 110.68 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 140' ' ' ASN . 4.0 tt -136.73 158.41 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.804 ' N ' HD23 ' A' ' 139' ' ' LEU . 24.0 p30 38.86 32.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -65.91 100.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -174.3 166.31 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.12 -167.0 25.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 112.25 3.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.25 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.8 p -74.21 141.33 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.6 t -149.87 144.61 26.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -106.74 112.73 25.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.903 0.383 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -80.78 -48.73 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.2 -120.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 48.18 42.5 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -103.68 104.14 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.85 148.17 17.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.0 ttm -84.39 86.83 7.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.33 163.91 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.33 108.25 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -105.85 117.95 35.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -111.96 9.09 20.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -135.4 148.59 49.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 tp -76.44 -30.4 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 68' ' ' ILE . 56.3 mt -84.65 130.31 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.0 t -84.59 99.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.5 158.89 28.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.9 t70 -153.46 118.45 2.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.4 Cg_endo -69.81 137.17 42.56 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.342 0.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 p -80.58 -74.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 7.5 m-20 -144.03 149.39 36.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 25' ' ' PHE . 17.6 tp -93.9 109.48 21.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.8 150.98 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CE1' HD23 ' A' ' 23' ' ' LEU . 13.6 m-85 -124.37 113.14 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.19 15.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.98 -159.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.77 83.49 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.39 0.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 20.6 m-85 -87.27 -12.97 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -58.61 -29.99 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.97 168.57 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 32' ' ' VAL . 2.8 p -66.23 122.64 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.28 148.61 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -115.9 111.32 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -112.01 134.36 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -107.87 122.96 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -101.99 111.52 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -82.4 138.5 34.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -131.42 103.62 6.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -86.65 158.67 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.34 99.05 14.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -22.13 32.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 p -71.57 -179.62 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.25 27.77 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.1 ptm85 -143.05 135.16 27.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -39.87 135.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.5 t -132.5 122.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 98.0 m -81.33 133.36 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 66' ' ' GLY . 25.7 p90 -130.58 148.12 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 16.0 mttm -131.08 142.08 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -105.19 123.13 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -143.18 130.32 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -141.05 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 p -70.17 -6.34 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -114.85 81.87 7.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.83 17.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.9 -55.18 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.2 tpp180 -53.4 -48.85 68.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -99.28 127.12 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -121.87 101.77 7.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 51' ' ' VAL . 58.5 t -93.09 129.73 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 42.3 ttp180 -145.94 122.61 5.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.4 Cg_endo -69.72 157.14 92.26 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.354 -0.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -87.65 -5.16 58.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p -172.02 147.48 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 177.14 -175.32 47.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.18 135.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 15' ' ' LEU . 67.9 mt -99.76 116.99 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.09 146.44 8.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.7 Cg_endo -69.75 109.97 2.44 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.63 43.68 4.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.4 m -154.74 -176.97 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.07 139.64 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.474 HG21 HG12 ' A' ' 68' ' ' ILE . 19.4 t -113.5 139.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -115.76 101.66 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.31 137.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -86.36 106.75 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -100.66 101.83 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.1 mtm -83.22 134.8 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -118.9 114.1 22.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.529 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.5 mp0 -68.83 141.62 92.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.39 8.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -140.42 174.2 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.75 102.31 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 21.1 t80 -67.16 136.18 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.39 98.0 8.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.89 -29.5 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -109.19 153.33 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -115.23 -55.02 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -97.48 103.47 15.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 -55.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -79.31 155.58 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -136.82 145.95 45.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.49 133.66 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.0 mtm -129.4 114.57 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -112.37 123.15 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 31.9 tt0 -101.61 142.18 33.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.2 p -142.89 141.57 31.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.502 HG22 ' CH2' ' A' ' 113' ' ' TRP . 3.6 tt -154.0 146.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 45' ' ' ARG . 72.5 m-85 -63.97 136.03 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.4 138.55 20.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.87 44.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.03 30.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -115.67 49.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.517 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -77.87 109.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -102.28 -65.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 112' ' ' VAL . 71.4 m-20 -87.88 108.99 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.0 tpt -59.74 -57.4 13.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.75 -51.29 61.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -48.97 -49.05 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 108' ' ' ASP . 76.3 t -50.08 -56.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 100' ' ' ILE . 82.7 m95 -57.32 -39.96 76.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -59.89 -53.05 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -64.53 -36.63 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.05 120.78 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -84.09 155.06 64.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 -17.68 25.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -114.86 -6.84 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 15.3 mt -86.57 119.6 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -89.64 156.88 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -146.09 162.42 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.9 t -134.91 121.54 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -84.15 107.58 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 126' ' ' LEU . 5.9 tt -128.57 133.83 48.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.447 ' N ' HD23 ' A' ' 126' ' ' LEU . 21.1 ptt180 -102.87 136.56 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.01 115.73 26.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 51.2 t -95.35 132.22 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.2 m-85 -101.53 107.38 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -110.82 151.63 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.2 mtp -96.49 153.19 38.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.543 0.687 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.382 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 52.65 41.95 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -106.7 130.11 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -94.99 115.07 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.38 135.16 26.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -76.96 120.89 22.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 mp -96.08 172.06 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -91.23 157.85 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.14 143.25 32.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.2 m -113.38 135.65 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 156.47 147.59 4.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 145' ' ' SER . 53.7 Cg_endo -69.76 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 144' ' ' PRO . 19.1 p -35.58 139.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.3 p -61.2 138.21 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m 60.44 41.91 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -92.03 107.03 18.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.02 87.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.54 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -126.46 121.27 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -145.37 145.73 31.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.79 -153.71 22.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.76 168.75 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.41 164.8 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -102.09 47.34 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -137.88 129.68 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -110.05 130.47 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.15 149.32 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 101' ' ' PHE . 11.4 tp -80.18 -20.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -115.42 114.26 24.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m -89.37 143.94 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 17' ' ' LEU . 4.8 mp -105.75 161.1 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.69 117.48 4.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.47 43.99 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.309 -0.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -36.18 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.6 m -67.06 -76.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 152.26 40.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.748 ' H ' HD21 ' A' ' 126' ' ' LEU . 43.2 tp -96.27 106.28 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.58 155.43 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 35.3 m-85 -128.89 121.48 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -80.74 122.4 27.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.58 -162.46 11.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.83 24.19 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.342 0.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 19.6 m-85 -103.67 14.76 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -76.68 -22.65 53.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -130.63 177.38 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 82' ' ' PRO . 78.3 t -69.63 121.0 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.62 139.55 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -111.59 112.2 23.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 5.5 m -106.81 140.08 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.22 120.47 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.17 108.71 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.33 141.74 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 26.6 mt -131.87 104.97 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 40.5 tt0 -89.15 149.76 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.58 98.9 33.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.94 37.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.466 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 88.9 p -72.52 -176.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -126.35 15.85 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.3 ptp180 -137.58 149.27 46.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -50.37 144.55 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 45' ' ' ARG . 77.6 t -142.33 121.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.0 m -74.03 135.64 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.57 129.77 31.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 17.4 mttm -115.68 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.26 109.3 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -131.27 126.71 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -129.81 149.53 51.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -53.03 -20.41 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.58 79.89 1.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.571 0.7 . . . . 0.0 111.052 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -35.01 13.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -88.31 -54.01 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.796 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 62.6 mtt85 -51.56 -39.1 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 4.5 m-85 -110.99 143.77 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.26 102.98 7.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 63' ' ' PRO . 56.2 t -91.42 125.76 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -145.23 116.13 5.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.643 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.9 Cg_endo -69.77 162.24 84.55 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.368 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m120 -90.17 -16.36 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -170.57 156.04 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.66 -149.14 11.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.9 mt -133.68 140.33 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG23 HG23 ' A' ' 74' ' ' VAL . 65.8 mt -103.96 116.85 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.53 147.95 2.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.25 33.28 20.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.6 m -141.57 157.06 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -108.11 130.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.423 HG23 HG23 ' A' ' 68' ' ' ILE . 54.4 t -112.1 132.55 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 m -103.15 120.98 41.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.25 137.6 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -90.37 96.33 10.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.04 98.14 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -79.74 148.15 31.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -131.41 111.48 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.8 145.74 99.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 114.79 3.82 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -138.33 159.97 40.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -64.63 92.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -59.53 104.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 15.3 m-20 -121.55 92.19 48.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.6 Cg_endo -69.83 -40.11 5.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -45.42 -44.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -112.6 100.78 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -126.15 130.77 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -94.49 -48.62 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -129.42 -63.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 m80 40.18 51.84 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -128.2 166.79 17.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -145.04 122.8 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.65 145.45 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.78 134.69 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -102.56 147.78 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 p -150.96 128.72 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.575 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 3.1 tt -150.18 144.85 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 14' ' ' ILE . 96.5 m-85 -57.63 152.32 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.3 136.09 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.21 22.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -29.3 24.16 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -117.75 65.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.584 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -92.42 98.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -89.33 -54.39 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.9 m-20 -110.82 117.3 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 45.2 mtp -66.42 -46.42 76.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.32 -38.39 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.97 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG21 HD12 ' A' ' 106' ' ' ILE . 59.5 t -52.39 -56.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 99.3 m95 -54.97 -37.56 66.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.97 -52.42 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.96 -33.86 76.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.34 135.34 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -95.61 153.23 39.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.84 -18.33 35.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -113.55 -18.32 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 100' ' ' ILE . 14.3 mt -74.38 127.37 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.03 123.16 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.39 165.43 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -136.45 123.19 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -84.4 116.86 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.748 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.8 tt -137.66 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.66 ' N ' HD23 ' A' ' 126' ' ' LEU . 42.5 ttp180 -110.97 131.05 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.5 m -74.41 117.43 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.39 117.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.4 m-85 -88.29 113.26 23.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -103.02 159.77 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.2 mtp -135.37 145.2 52.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.1 17.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.278 . . . . 0.0 112.361 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.409 ' OD1' ' CB ' ' A' ' 136' ' ' ASN . 15.0 t-20 -39.11 -63.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 65.88 47.93 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' CB ' ' OD1' ' A' ' 134' ' ' ASN . 4.3 t-20 -102.56 -11.13 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.72 23.45 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -90.72 139.11 31.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 140' ' ' ASN . 2.1 tt -126.27 -69.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 139' ' ' LEU . 10.0 p30 -133.69 167.66 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -55.04 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t -65.62 149.77 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -168.13 165.1 38.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.76 31.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 m -41.33 128.93 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 t -48.66 173.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -103.79 124.11 48.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -88.23 121.87 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.36 -169.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -99.0 154.33 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -164.65 154.6 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.8 -84.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ptp -136.7 159.52 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.2 122.78 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 153.42 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -144.94 151.33 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 5.3 mp0 -113.16 0.79 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -81.93 134.89 35.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tp -96.68 -25.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD12 ' CG2' ' A' ' 99' ' ' THR . 17.7 mt -97.64 129.19 44.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.9 t -94.85 104.6 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.94 152.89 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.572 ' O ' HD23 ' A' ' 37' ' ' LEU . 32.7 m-20 -143.22 117.99 6.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 137.82 46.05 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.34 0.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -35.58 12.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -70.23 -75.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.98 151.8 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.828 ' H ' HD21 ' A' ' 126' ' ' LEU . 41.8 tp -89.63 117.84 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -94.18 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 38.7 m-85 -114.43 124.76 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -84.19 122.63 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.61 -162.03 10.9 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -174.5 9.56 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.34 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 21.4 m-85 -110.63 2.5 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -74.37 -4.9 39.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.68 166.09 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG22 ' HD3' ' A' ' 82' ' ' PRO . 75.8 t -51.21 131.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 34' ' ' THR . 47.7 t -106.53 158.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 33' ' ' VAL . 19.7 m -133.64 119.98 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 93.1 m -129.63 120.6 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.03 130.84 37.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -110.05 112.06 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -82.16 136.86 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.88 103.95 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 15.1 tt0 -89.31 152.19 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 42.8 t30 -130.57 98.82 19.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.05 31.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 p -61.89 -177.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' C ' ' HB3' ' A' ' 70' ' ' PRO . 87.3 m-20 -123.75 14.16 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 3.6 ptp180 -135.85 152.89 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.11 150.08 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 100' ' ' ILE . 59.9 t -147.35 133.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 8.9 m -88.25 149.1 24.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -145.36 141.89 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 113' ' ' TRP . 29.1 mtmt -130.7 119.17 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.9 107.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -115.64 128.18 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 t -139.34 160.37 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.9 p -73.19 -2.56 22.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -118.01 85.74 24.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.07 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -94.65 -48.07 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.735 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 21.7 ttt180 -47.32 -39.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 80' ' ' LEU . 4.8 m-85 -107.42 145.75 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.45 91.69 3.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' A' ' 78' ' ' VAL . 6.6 m -98.74 133.36 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 77.4 mtt180 -154.38 122.25 2.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.653 0.739 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.2 Cg_endo -69.74 164.18 79.86 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.38 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -106.18 -7.13 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 p -169.74 146.99 3.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.42 17.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.1 mt -131.77 142.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.4 mt -110.7 117.09 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.51 152.83 11.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.71 126.12 12.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.88 22.39 69.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -127.85 172.76 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.72 135.02 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -111.51 137.91 42.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -108.01 107.32 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.81 150.51 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.0 m -102.76 96.19 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 61' ' ' VAL . 8.2 t -95.9 96.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.4 mtm -93.02 135.32 34.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -114.84 109.93 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.33 156.71 20.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.71 118.7 5.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -139.4 152.85 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.45 105.66 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.67 108.56 10.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 88' ' ' ASN . 5.2 t0 -105.25 92.12 5.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.5 Cg_endo -69.8 -41.6 4.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.291 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.484 ' ND2' ' OD1' ' A' ' 86' ' ' ASP . 1.4 p-10 -60.5 -42.24 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.79 -174.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 154.36 20.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.8 p -126.39 119.37 27.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -120.3 95.89 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.536 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 2.2 t-80 -160.63 163.67 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 15.0 ttpt -162.84 161.49 26.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.63 116.95 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -117.33 144.89 44.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.91 123.97 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 9.0 tt0 -100.17 138.04 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 15' ' ' LEU . 76.2 p -142.32 140.45 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.5 tt -154.35 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -57.83 149.91 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -117.72 136.13 23.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 111.07 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.75 18.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.96 31.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ILE . 7.8 t-20 -96.8 -57.9 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.8 tt 34.44 52.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -43.41 -57.15 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.871 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.0 m-20 -113.07 129.07 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mtp -69.39 -52.84 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -54.24 -53.55 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -46.68 -44.72 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 108' ' ' ASP . 17.1 t -50.58 -54.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 98.4 m95 -56.77 -41.82 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -59.81 -54.32 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.84 -33.99 76.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 130.25 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -89.38 153.95 48.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.1 9.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -95.98 -20.83 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -106.59 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 11.7 mt -73.94 135.48 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.7 132.22 48.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 159.37 27.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -134.67 123.3 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.1 113.21 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.828 HD21 ' H ' ' A' ' 23' ' ' LEU . 7.1 tt -127.89 141.38 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.72 ' N ' HD23 ' A' ' 126' ' ' LEU . 45.9 ttp85 -111.79 126.06 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 28.1 m -76.18 122.53 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.3 t -102.61 115.99 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 7.2 m-85 -89.65 107.06 18.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.48 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.516 ' SD ' ' CD2' ' A' ' 29' ' ' PHE . 70.8 mmm -136.34 133.37 19.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 103.68 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -89.98 66.07 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' A' ' 139' ' ' LEU . 14.5 tp10 -112.33 130.35 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -122.12 -39.99 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -112.91 115.82 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -38.91 104.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.469 HD12 ' OE2' ' A' ' 135' ' ' GLU . 8.1 mt -102.02 84.26 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 44.85 41.93 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -97.5 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.9 p 44.15 43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 93.69 -158.8 23.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 114.08 3.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 t -82.67 128.09 34.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.2 p -123.28 23.35 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -100.5 -56.91 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 p 38.36 47.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.81 -147.53 8.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 p 37.88 49.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -67.29 -58.09 5.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.64 127.06 3.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 mtp -105.39 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.31 171.32 14.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -136.39 109.48 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -116.65 167.9 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -129.93 68.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.706 ' OE1' HD11 ' A' ' 17' ' ' LEU . 5.1 tt0 -126.1 124.44 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 43' ' ' SER . 5.2 tp -46.69 -40.86 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 9.7 mt -84.11 149.11 26.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.4 t -109.41 105.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -77.82 151.63 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -139.54 118.24 8.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.77 137.28 43.03 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.3 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -77.64 -75.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 8.2 p-10 -143.96 152.11 40.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.74 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 24.7 tp -91.68 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -95.15 125.49 39.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.74 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 8.8 m-85 -102.84 140.34 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -104.51 115.97 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.59 -162.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.9 91.71 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.325 0.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -93.32 32.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.0 p -99.69 -23.03 15.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -130.4 175.61 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -56.38 123.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.7 135.47 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -117.55 116.19 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -119.21 145.63 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -76.5 136.5 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 14.8 mt -129.26 105.21 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -88.91 159.23 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 29.1 t-20 -134.93 98.93 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -28.79 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.779 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.5 p -61.58 163.12 7.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.08 27.75 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.8 ptp180 -151.07 147.86 27.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 67' ' ' ILE . 30.4 mtmt -50.81 149.41 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -143.82 116.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -72.13 136.45 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -131.27 141.13 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' CG ' ' CE2' ' A' ' 113' ' ' TRP . 16.6 mmtt -125.16 128.27 48.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.11 118.49 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -140.46 119.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -117.79 165.98 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.0 p -64.31 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.93 70.33 0.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.5 2.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -63.91 -20.84 66.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 8.0 ttt-85 -103.11 -16.13 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 80' ' ' LEU . 6.4 m-85 -110.12 135.38 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -124.72 91.53 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.484 HG12 HG13 ' A' ' 78' ' ' VAL . 6.1 m -91.09 131.28 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.8 ttp85 -143.76 120.86 6.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.76 157.83 91.64 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -98.28 -4.14 35.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 p -169.97 153.83 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.08 -168.92 39.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.534 HG21 ' HD2' ' A' ' 46' ' ' LYS . 13.2 mt -121.62 144.11 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 74' ' ' VAL . 93.7 mt -110.17 105.63 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.21 150.72 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.78 112.61 3.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 39.55 6.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -144.1 -179.35 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.3 mt -134.67 134.36 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -111.61 137.83 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -108.82 102.76 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.01 137.37 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -88.38 113.29 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 61' ' ' VAL . 34.6 t -100.69 119.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 15.3 mtt -102.05 136.6 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -133.41 112.11 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.623 ' N ' HD22 ' A' ' 80' ' ' LEU . 2.8 mp0 -62.64 142.81 96.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 143.84 52.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 p90 -154.51 -179.49 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.11 95.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -67.99 116.66 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 6.6 m-20 -91.55 109.81 38.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 54.2 Cg_endo -69.75 -32.23 19.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.36 -50.48 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -92.72 132.54 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 91' ' ' SER . 18.2 pttm -62.21 -50.19 72.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 88.7 p -165.14 146.5 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.64 -43.45 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -71.8 179.56 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -148.9 156.8 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -131.53 114.36 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.79 151.94 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.81 130.18 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -99.72 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -143.38 141.48 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.606 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.4 tt -159.77 142.68 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.86 147.95 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.15 139.34 22.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.32 24.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -20.02 35.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -113.8 15.2 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.0 tp -37.79 112.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -125.85 -73.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 112' ' ' VAL . 29.9 m-20 -87.3 107.82 18.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.6 mtp -57.6 -44.25 85.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 114' ' ' LYS . 8.4 pt-20 -57.88 -55.61 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.17 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.656 HG21 ' CD1' ' A' ' 106' ' ' ILE . 54.5 t -57.44 -57.06 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CE2' ' CG ' ' A' ' 50' ' ' LYS . 86.4 m95 -52.26 -43.87 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 110' ' ' GLU . 4.1 mptt -61.18 -47.66 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.92 -31.56 72.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.43 132.56 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -93.14 153.11 41.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.57 18.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.47 -25.04 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -107.56 -24.55 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.606 HD23 ' HB ' ' A' ' 100' ' ' ILE . 18.9 mt -68.48 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.8 mtm -102.89 142.05 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.59 163.51 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.6 t -135.45 129.99 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -87.81 118.43 27.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.61 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.2 tt -128.12 129.59 46.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.487 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.4 ttm180 -97.94 123.42 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.06 117.49 20.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.62 118.65 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.31 105.63 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.54 158.61 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mtp -113.82 153.07 46.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 123.26 9.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.715 2.277 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -99.81 173.78 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -102.53 138.04 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -48.67 116.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.23 22.62 9.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -98.75 144.62 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 139' ' ' LEU . 7.2 tt -94.12 -59.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 139' ' ' LEU . 9.2 t-20 -36.25 149.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.1 -68.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -142.55 132.96 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.66 -76.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.17 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -57.09 120.76 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -104.53 158.09 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 7.6 m -35.99 131.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -111.82 42.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.69 124.29 3.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -129.65 176.71 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -135.28 125.75 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.85 -151.38 11.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 tpt -149.37 114.39 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.41 130.75 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 131.54 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.54 109.93 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.82 46.56 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -137.71 172.51 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tp -106.8 14.93 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 ' HD2' ' A' ' 42' ' ' PRO . 47.3 mt -131.39 163.64 27.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.6 t -120.24 106.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.98 147.56 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.4 t70 -140.65 119.2 8.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 54.3 Cg_endo -69.71 136.75 40.26 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.344 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -32.04 19.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -73.66 -74.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -143.86 148.96 36.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' H ' HD21 ' A' ' 126' ' ' LEU . 24.4 tp -92.83 117.63 30.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -93.09 148.32 22.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -122.28 127.22 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -92.14 118.93 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' HD3' ' A' ' 133' ' ' PRO . . . -61.26 -158.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 177.0 30.24 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.301 0.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 28.7 m-85 -101.9 15.09 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -83.2 -41.39 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -116.29 -179.53 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.67 130.55 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.3 151.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -123.12 128.54 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -131.56 124.34 29.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -92.18 120.41 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -105.87 110.7 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -78.03 145.2 36.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.8 mt -143.06 105.65 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.64 161.87 19.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 56.7 t-20 -128.58 98.85 24.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.77 -40.47 5.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.38 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -60.35 156.95 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.54 36.8 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.7 ptp180 -156.6 140.18 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 79.8 mttt -42.31 133.15 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.4 t -126.65 127.73 70.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 72.3 m -79.8 159.2 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.53 135.76 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 14.0 mmtt -121.65 114.05 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 61' ' ' VAL . 2.7 t -83.13 112.57 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -142.95 129.94 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -134.29 167.1 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.6 p -58.51 -23.08 57.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.957 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.38 80.17 1.1 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.1 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -88.4 -43.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.957 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 36.1 mtt85 -62.91 -45.52 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -101.41 128.02 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.71 99.65 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.799 HG22 HG13 ' A' ' 78' ' ' VAL . 67.7 t -94.92 138.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 8.8 ttt180 -149.88 122.46 4.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.72 143.75 74.66 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.357 -0.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.32 -11.83 60.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -174.16 159.54 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.04 -157.44 27.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 109' ' ' MET . 16.6 mt -128.25 132.27 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.723 HG23 HG23 ' A' ' 74' ' ' VAL . 36.0 mt -101.32 120.36 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -48.87 155.9 0.98 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.76 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.7 39.8 85.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -136.16 178.09 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.41 134.73 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.723 HG23 HG23 ' A' ' 68' ' ' ILE . 22.2 t -116.7 142.23 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -110.35 105.14 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG11 ' CG1' ' A' ' 61' ' ' VAL . 84.6 t -89.88 141.97 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.8 m -95.36 111.65 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -110.07 102.9 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.6 mtm -88.48 148.31 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -133.47 112.44 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 81' ' ' GLN . 2.0 mp0 -63.02 146.83 95.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.75 135.33 30.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -150.45 161.59 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.15 105.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -74.32 111.7 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 25.9 m-20 -106.77 92.25 7.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.8 Cg_endo -69.73 -45.03 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -42.41 -39.9 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -104.97 118.3 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -51.66 133.96 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.44 ' HG ' ' HE1' ' A' ' 130' ' ' PHE . 69.6 m -54.62 143.81 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -116.2 25.13 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.402 ' ND1' ' HB2' ' A' ' 55' ' ' ALA . 8.8 m-70 -110.48 127.3 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -116.09 148.29 40.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -111.89 123.81 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -120.22 148.45 43.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -134.43 135.22 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -105.47 140.65 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.8 p -140.49 134.45 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.533 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.3 tt -151.39 139.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -45.9 162.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -119.44 127.05 26.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 155.32 65.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.15 54.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 112' ' ' VAL . 1.6 tt -83.47 132.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.1 m -125.42 -66.24 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.53 92.77 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 67' ' ' ILE . 11.3 tpt -45.21 -33.79 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.7 pp20? -64.53 -55.53 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.475 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -49.88 -51.14 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 106' ' ' ILE . 26.6 t -42.11 -59.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.54 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 88.5 m95 -53.24 -42.21 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -60.51 -56.44 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.67 -37.5 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.55 131.83 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -96.08 154.88 38.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.79 33.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.36 -28.97 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.94 -21.64 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.533 HD23 ' HB ' ' A' ' 100' ' ' ILE . 12.1 mt -71.1 126.38 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.77 144.5 25.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -131.3 167.6 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.4 p -143.88 136.78 27.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -98.52 107.7 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.6 tt -121.22 142.74 49.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.758 ' N ' HD23 ' A' ' 126' ' ' LEU . 2.4 ptp85 -109.41 127.55 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.25 122.68 32.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.01 123.35 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.44 ' HE1' ' HG ' ' A' ' 91' ' ' SER . 1.8 m-85 -87.36 105.62 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.93 159.16 15.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mmm -97.5 149.97 36.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 135' ' ' GLU . 53.7 Cg_endo -69.79 -2.47 10.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -49.46 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' PRO . 10.9 mp0 -152.96 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -145.9 126.62 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.16 124.07 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -110.97 102.09 10.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.6 tp -99.74 90.57 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.45 39.37 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -121.09 95.78 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.5 m -117.32 94.98 4.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 179.57 -100.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.434 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 140.89 43.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.387 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.2 p -166.03 144.13 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.2 p 54.44 47.74 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -173.25 124.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -151.09 163.18 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.73 44.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -153.05 154.42 34.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -116.03 -59.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.76 -51.71 0.71 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 mtt -99.88 118.54 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.21 171.22 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -106.35 100.17 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 13' ' ' GLN . 15.8 p-80 -108.09 104.21 13.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.48 37.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 11' ' ' HIS . 6.4 pm0 -146.86 150.08 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tp -83.6 -28.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 99' ' ' THR . 14.2 mt -92.3 135.13 34.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.11 104.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.15 155.42 40.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 1.7 m-20 -143.94 117.75 5.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.843 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.76 138.49 49.38 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.351 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.63 12.27 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -144.02 152.63 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.775 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.4 tp -91.89 109.52 20.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -88.96 140.8 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 23' ' ' LEU . 10.3 m-85 -113.17 122.11 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.38 116.44 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.86 -162.56 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.95 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.336 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 57.0 m-85 -98.47 22.5 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -76.76 -12.28 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 3.1 t70 -150.18 -176.73 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.76 118.84 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -99.05 122.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -98.54 110.31 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.1 m -104.19 134.79 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -93.44 122.32 35.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.5 111.75 24.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -88.04 131.12 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.09 104.62 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.04 154.47 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -133.62 98.86 14.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.36 9.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -54.27 173.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.11 36.68 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 18.9 ptp180 -154.52 150.53 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.99 140.48 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG13 ' C ' ' A' ' 100' ' ' ILE . 42.6 t -135.12 132.45 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 29.5 m -87.1 132.79 33.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -129.22 146.78 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 40.0 mttt -128.93 129.14 45.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -93.44 130.06 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -144.26 126.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 55' ' ' ALA . 10.5 t -138.67 149.23 44.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 p -58.85 -11.33 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -105.28 90.53 3.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 53.4 Cg_endo -69.86 -46.71 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -96.45 -47.8 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 27.1 mtm180 -52.41 -34.32 47.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 5.4 m-85 -115.9 125.21 52.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -117.57 109.73 17.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 78' ' ' VAL . 60.2 t -109.36 125.37 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 29.5 mtp180 -142.69 123.39 8.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.82 159.35 90.0 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.345 0.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -88.48 -9.9 50.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.8 p -170.9 150.77 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.34 -168.81 40.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.61 139.82 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.91 128.74 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.97 150.63 94.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.78 120.5 7.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 30.51 44.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.1 m -137.63 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -131.69 136.16 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.99 132.4 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 m -104.45 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -89.52 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -97.9 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 61' ' ' VAL . 86.6 t -110.69 92.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -80.77 150.47 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 81' ' ' GLN . 4.9 tt -132.19 121.31 23.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -64.11 143.01 98.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 52.8 Cg_endo -69.79 127.37 14.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' TYR . 12.8 p90 -157.4 131.11 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -46.85 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' PHE . 2.9 t80 -90.65 106.79 18.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.69 123.15 67.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -41.22 4.53 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.752 2.302 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -54.03 -45.42 71.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.33 142.51 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -64.56 176.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.2 p -124.87 135.62 53.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -107.82 70.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.419 ' HE1' ' O ' ' A' ' 128' ' ' CYS . 0.1 OUTLIER -154.08 158.45 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -151.27 158.99 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -129.41 128.23 42.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.4 mtm -129.08 144.24 51.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.9 t -132.52 129.98 59.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -99.38 149.84 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 15' ' ' LEU . 23.5 p -152.6 136.53 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 4.0 tt -159.76 132.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 90.1 m-85 -46.16 141.79 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.49 136.8 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.73 59.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.31 33.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -102.93 7.55 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -41.16 126.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 m -130.54 -53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.78 115.59 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.7 mmm -55.85 -56.13 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -53.12 -31.43 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.18 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.56 -56.9 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.532 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -57.87 -37.96 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -62.69 -55.88 22.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -61.21 -38.28 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.46 132.01 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -90.78 154.09 45.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.17 -18.89 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -113.11 -21.25 11.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.07 132.01 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -95.23 150.37 20.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -134.63 158.37 44.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.4 m -135.44 118.52 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -88.05 112.45 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.3 tt -119.94 142.12 49.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.779 ' N ' HD23 ' A' ' 126' ' ' LEU . 10.8 tpp180 -110.51 113.0 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.419 ' O ' ' HE1' ' A' ' 93' ' ' HIS . 54.1 m -77.09 130.24 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.3 t -115.74 145.04 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -104.34 106.51 17.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.3 164.38 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.8 mtp -135.52 152.41 76.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.78 5.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -38.95 -48.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.95 175.86 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -53.06 91.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.05 140.94 42.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -121.99 164.12 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -134.24 98.8 4.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -113.7 88.35 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -137.57 164.89 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.9 p -124.46 77.21 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.94 -160.29 28.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.8 15.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.731 2.288 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -71.74 87.04 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.7 p -51.67 129.89 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -125.29 81.83 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -160.06 132.47 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.69 146.02 7.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -123.53 127.59 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -59.08 112.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.42 129.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.62 163.82 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.78 165.8 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -120.92 175.42 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -90.07 112.46 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -120.36 32.98 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -151.68 -178.41 6.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 43' ' ' SER . 10.1 tp -115.18 -23.94 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' ' 68' ' ' ILE . 80.3 mt -96.34 126.3 41.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.11 98.6 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.5 mp -64.86 160.25 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 13.9 t70 -157.02 119.06 2.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.79 136.57 39.53 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.339 0.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -69.35 -75.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -143.79 151.52 40.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' HD21 ' A' ' 126' ' ' LEU . 25.0 tp -94.43 102.81 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -75.94 152.18 37.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.39 105.14 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -76.52 126.52 31.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.56 -158.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HB2' HG22 ' A' ' 30' ' ' THR . 54.0 Cg_endo -69.75 161.92 85.17 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 0.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -92.36 4.55 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' PRO . 3.3 t -101.81 3.9 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.95 172.03 13.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.17 125.08 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -101.28 151.73 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -132.74 111.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 23' ' ' LEU . 10.7 m -111.46 128.96 56.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -94.92 120.54 35.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.35 107.89 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -80.06 140.44 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 32.5 mt -135.21 104.97 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.44 144.45 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -119.58 98.79 49.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.43 9.18 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 24.3 p -59.77 174.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.87 25.62 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 6.1 ptp180 -141.45 146.88 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' HG21 ' A' ' 67' ' ' ILE . 36.1 mtmt -53.86 143.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.61 118.5 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.9 m -77.97 135.31 37.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -131.98 152.86 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 20.0 mtpt -131.36 128.61 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 61' ' ' VAL . 2.6 t -97.07 117.25 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 137.52 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.2 155.3 46.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -108.36 88.8 5.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.709 . . . . 0.0 111.12 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -51.85 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 ttp180 -53.84 -45.19 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -105.18 132.05 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -123.67 112.36 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 51' ' ' VAL . 60.1 t -102.15 125.45 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 38.6 ttm180 -144.09 121.08 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.73 150.61 90.35 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.362 -0.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -72.41 -12.32 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.3 p -173.54 175.02 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.36 -160.36 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 46' ' ' LYS . 50.0 mt -127.75 137.38 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 15' ' ' LEU . 67.3 mt -100.77 120.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.06 148.26 14.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.76 108.83 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.32 33.18 9.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -137.78 -177.31 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.8 mt -134.28 133.2 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.6 136.87 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -109.03 111.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 77' ' ' SER . 69.3 t -92.19 152.99 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 76' ' ' VAL . 65.8 m -105.61 109.62 21.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.6 96.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.7 mtm -81.72 128.92 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 59' ' ' TYR . 1.6 tm? -118.94 113.1 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD22 ' A' ' 80' ' ' LEU . 2.3 mp0 -62.98 143.3 97.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 128.25 15.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -134.26 173.87 11.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 16.7 p-10 -67.39 87.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -60.54 102.81 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 30.0 m-20 -112.52 92.18 18.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.5 Cg_endo -69.87 -31.67 19.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.39 126.4 39.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -77.35 121.86 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -90.55 -178.8 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.66 86.73 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 94' ' ' LYS . 8.0 t-80 -132.13 139.26 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -146.13 151.26 37.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.8 t80 -114.69 141.03 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.02 124.35 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -120.36 123.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -99.01 150.55 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.442 ' CG2' HD12 ' A' ' 15' ' ' LEU . 57.3 p -149.8 136.79 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -156.29 140.15 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.58 148.66 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.72 136.08 19.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 157.37 60.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.03 43.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 106' ' ' ILE . 1.4 tt -68.76 119.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 -44.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.11 122.63 38.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.11 -51.76 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 111' ' ' ALA . 14.2 pt-20 -53.58 -47.11 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . -51.02 -43.46 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.41 -56.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 60.0 m95 -58.67 -27.07 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -73.97 -58.35 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.73 129.16 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -93.01 153.12 41.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.87 22.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.614 2.209 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.93 -13.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -113.47 -13.5 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 mt -78.74 138.15 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.6 mpp? -104.49 134.41 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -119.44 164.69 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.1 p -142.12 128.42 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -86.65 122.41 30.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -138.86 136.0 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.609 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -107.21 137.17 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.1 m -97.99 115.71 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.59 136.65 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -101.56 114.76 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.57 143.62 29.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.0 tpt -92.63 133.81 28.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.715 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.06 -23.07 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -118.44 35.16 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.08 143.55 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.65 111.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.01 105.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 139' ' ' LEU . 3.4 pp -39.37 155.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -119.88 125.31 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -120.24 115.4 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -167.95 134.63 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -174.75 167.95 40.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -175.23 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.307 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 94.8 p -131.04 -45.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.2 p -99.56 -46.11 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -115.23 115.2 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -124.24 144.28 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.28 -152.21 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -84.61 41.86 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.8 p -89.44 137.47 32.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.47 91.89 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.3 mmm -69.57 105.55 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 115.35 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -102.16 125.39 48.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -85.32 99.7 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.63 13.11 14.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -122.86 151.75 41.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -80.44 -28.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.9 mt -86.18 132.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.1 99.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.2 mp -74.18 149.28 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.584 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.9 t0 -142.46 118.92 6.95 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.79 136.99 41.61 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.37 0.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -31.01 21.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.8 -74.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 17.4 p30 -143.94 150.86 39.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 35' ' ' THR . 68.5 tp -88.95 101.74 14.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -81.25 134.31 35.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -107.83 124.18 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -89.0 117.64 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.7 -162.3 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.33 71.34 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.333 0.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 24.7 m-85 -100.54 10.96 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -79.69 12.13 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -166.43 175.06 8.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.77 118.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.0 t -96.44 131.08 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -107.44 109.06 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.533 ' CG2' HD11 ' A' ' 23' ' ' LEU . 28.4 m -116.01 125.51 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 24.9 p30 -95.94 139.66 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.1 tt -115.11 113.12 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -81.06 132.92 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 36.7 mt -127.4 104.27 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.94 145.74 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 52.2 t-20 -120.88 98.84 47.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.23 4.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.7 p -53.15 152.91 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -94.5 29.41 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.5 ptm180 -151.02 155.57 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.72 160.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.1 t -154.57 120.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.2 m -78.54 147.08 33.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE1' HG13 ' A' ' 68' ' ' ILE . 24.9 p90 -149.66 140.24 22.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HE3' ' CD2' ' A' ' 113' ' ' TRP . 3.4 mtmp? -122.46 125.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.35 113.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -140.22 127.76 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -126.33 162.23 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -77.38 -11.13 59.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.26 58.72 3.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.562 0.696 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.53 37.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.203 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -21.63 33.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -119.9 21.96 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -144.87 133.17 21.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 m -127.19 94.11 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.776 HG12 HG22 ' A' ' 78' ' ' VAL . 5.1 m -95.09 131.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.0 mtp180 -148.02 121.58 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.8 Cg_endo -69.74 168.34 67.77 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.339 -0.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.78 -0.52 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.4 p -171.65 145.98 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.73 36.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt -126.73 138.38 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.61 HG23 HG23 ' A' ' 74' ' ' VAL . 68.9 mt -101.58 110.66 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.39 148.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.457 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.82 128.34 15.84 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.83 26.91 65.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -135.35 169.5 17.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.23 147.06 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 HG23 ' A' ' 68' ' ' ILE . 22.7 t -124.47 141.6 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 6.6 m -117.38 103.17 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.03 143.01 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.7 m -90.37 101.3 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 HG12 ' A' ' 61' ' ' VAL . 36.6 t -99.84 103.98 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -91.24 135.66 33.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -122.82 113.62 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.494 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.2 mp0 -61.71 142.78 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 125.38 12.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -147.77 154.8 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.14 92.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -84.43 129.2 34.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 122.82 30.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.64 -39.39 88.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -107.89 97.6 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -100.25 123.04 44.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -83.9 -74.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -165.39 142.21 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' A' ' 93' ' ' HIS . 26.3 p80 -174.89 118.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -156.47 149.07 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.6 t80 -118.01 137.26 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.98 119.76 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.0 126.71 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -104.18 151.64 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.748 ' CG2' HD12 ' A' ' 15' ' ' LEU . 41.5 p -151.29 144.92 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.669 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 tt -156.59 144.1 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -63.15 134.27 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.35 137.26 22.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.19 25.21 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.05 27.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 106' ' ' ILE . 4.9 p30 -96.01 -50.03 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.495 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.4 tt 33.64 51.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 t -40.7 -60.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.793 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.7 m-20 -112.06 143.8 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -49.54 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.21 -52.57 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.58 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 108' ' ' ASP . 24.9 t -56.27 -47.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CD2' ' HE3' ' A' ' 50' ' ' LYS . 75.1 m95 -66.76 -38.38 86.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -62.0 -54.28 43.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -62.34 -36.74 83.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.16 119.46 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -86.28 154.4 57.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -2.65 10.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -96.41 -25.66 15.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -103.84 -20.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.669 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.8 mt -69.21 133.9 48.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.7 mtm -107.18 122.92 47.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -112.63 171.77 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.8 t -144.04 123.35 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -86.28 119.48 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.2 tt -130.94 134.42 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.637 ' N ' HD23 ' A' ' 126' ' ' LEU . 16.4 ptt180 -106.92 133.71 51.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.17 139.65 30.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.806 HG12 ' OE1' ' A' ' 131' ' ' GLU . 3.1 t -118.49 146.41 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 32.9 m-85 -112.96 111.6 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.806 ' OE1' HG12 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -115.88 159.73 21.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmt -101.38 156.0 35.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -85.13 110.14 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -81.61 134.17 35.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -156.48 179.93 8.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.98 24.36 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 125.47 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.04 -178.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.24 150.14 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -141.86 129.44 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.7 p -153.58 126.5 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.39 72.5 0.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.68 21.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -48.87 -56.61 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.5 m -47.09 -66.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -172.13 109.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -55.86 -50.51 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.53 158.86 17.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -126.93 90.98 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -117.2 175.98 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -176.26 46.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.3 128.61 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.78 130.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -76.51 105.19 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -89.96 119.39 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.37 79.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -144.0 153.38 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.4 tp -105.21 14.93 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD12 ' CG2' ' A' ' 99' ' ' THR . 52.0 mt -132.18 131.18 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -92.54 98.57 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.88 150.97 45.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 9.9 t70 -144.44 118.89 5.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.7 137.26 42.8 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.338 -0.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.62 14.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 m -70.19 -75.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.4 p-10 -143.29 150.11 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.764 ' H ' HD21 ' A' ' 126' ' ' LEU . 35.8 tp -89.66 99.49 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 148.7 30.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.5 m-85 -120.44 125.93 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -85.59 116.77 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.53 -162.67 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.78 17.52 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.326 0.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CD2' ' CE ' ' A' ' 132' ' ' MET . 20.2 m-85 -107.32 10.6 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.8 p -71.11 -21.6 62.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.28 -179.6 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.91 129.89 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 34' ' ' THR . 92.0 t -98.74 155.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 33' ' ' VAL . 25.2 m -124.78 113.17 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -122.16 119.54 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -91.62 124.33 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.86 105.42 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -79.71 136.23 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -131.09 103.68 6.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -86.81 155.84 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -129.7 98.71 21.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -24.69 29.63 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -69.52 170.68 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.5 24.8 12.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.68 157.49 44.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.52 139.15 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.23 124.55 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 7.6 m -79.34 152.43 30.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -152.14 150.48 29.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 11.7 mtpt -134.47 119.88 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -81.27 128.24 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -149.88 119.71 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.531 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 9.1 t -119.7 162.17 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.526 HG21 ' H ' ' A' ' 94' ' ' LYS . 21.9 p -52.61 -55.65 20.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -74.49 113.9 28.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.19 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' TYR . 32.8 mmt180 -94.96 -54.14 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.8 tpp85 -40.61 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CB ' HG21 ' A' ' 53' ' ' THR . 4.3 m-85 -123.6 126.59 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.53 109.82 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 51' ' ' VAL . 45.6 t -104.23 128.19 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.3 mtt-85 -148.29 124.19 5.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.72 146.26 81.61 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.39 -0.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.6 p-10 -79.69 -5.91 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -167.49 163.23 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -178.89 36.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.47 140.92 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.765 HG23 HG23 ' A' ' 74' ' ' VAL . 37.0 mt -104.58 112.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -46.4 151.39 1.0 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.02 4.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.09 53.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -128.41 -179.11 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.39 136.68 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.765 HG23 HG23 ' A' ' 68' ' ' ILE . 20.6 t -112.07 136.94 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -109.27 114.64 28.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.21 137.35 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -92.86 106.04 18.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -108.44 100.54 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 mtm -88.36 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 1.8 tt -117.58 114.18 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.41 142.84 81.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -143.51 154.68 43.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.83 93.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.462 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 18.8 t80 -53.69 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 3.4 m-20 -118.57 92.12 43.21 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 54.0 Cg_endo -69.78 -18.45 36.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -81.29 -40.69 23.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -101.03 160.48 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt 43.3 50.3 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.0 p -82.6 52.56 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.85 61.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -117.85 111.05 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.526 ' H ' HG21 ' A' ' 54' ' ' THR . 5.1 mtpm? -123.16 171.68 9.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.1 t80 -146.15 127.2 14.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.7 mtm -131.53 152.26 50.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.05 147.97 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -110.23 146.51 35.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.493 ' CG2' HD12 ' A' ' 15' ' ' LEU . 60.7 p -145.84 141.01 27.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 tt -159.11 140.71 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.56 135.85 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.31 136.49 21.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.55 18.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ILE . 85.0 m-20 -109.68 -67.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.551 HG13 HG21 ' A' ' 112' ' ' VAL . 5.3 tt 37.6 44.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.4 m -54.74 -34.55 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -123.8 93.14 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.3 mtp -43.93 -42.53 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.38 -55.01 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.45 -49.19 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 106' ' ' ILE . 97.3 t -48.3 -54.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 79.8 m95 -53.96 -42.09 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -53.06 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.3 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.64 127.56 31.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -88.47 154.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -5.35 15.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.83 -17.89 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -111.36 -21.15 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.79 117.13 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.5 mtm -90.75 161.36 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.21 174.17 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.7 m -140.92 121.41 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -83.18 115.25 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.5 tt -133.92 155.13 50.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 1.034 ' N ' HD23 ' A' ' 126' ' ' LEU . 35.6 ttp180 -126.99 116.51 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.99 124.33 27.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.36 137.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -99.61 105.45 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.53 162.29 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mmt -114.17 151.25 44.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.49 5.71 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.7 m120 68.14 50.93 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -109.83 -48.21 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -103.66 136.27 43.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -50.29 164.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -62.96 146.42 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 tp -100.03 70.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 140' ' ' ASN . 18.3 t-20 -101.67 100.95 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.03 166.19 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.0 p -160.51 116.28 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -132.34 160.47 23.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.39 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.1 t -143.52 159.19 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.3 t -131.38 115.77 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -46.59 161.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -124.53 128.16 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.26 -163.6 38.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -147.6 164.23 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -142.84 177.07 8.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.93 130.08 2.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 ttt -55.19 148.55 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.44 116.64 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -70.55 120.06 15.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -174.44 164.45 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -155.23 109.18 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -124.28 164.15 20.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.021 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -88.48 -31.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 HD12 ' A' ' 68' ' ' ILE . 73.9 mt -91.42 140.31 29.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.15 99.95 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 39' ' ' LEU . 1.9 mm? -66.65 134.03 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 37' ' ' LEU . 15.3 t70 -134.35 117.95 13.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.73 136.69 39.99 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.354 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' CA ' ' O ' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.74 -22.01 32.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -75.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 3.4 p-10 -141.78 144.72 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 35' ' ' THR . 44.3 tp -95.0 106.07 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -82.23 140.18 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.46 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 65.0 m-85 -112.7 126.63 55.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 114.29 22.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.81 -161.87 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 38.68 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.388 0.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 45.6 m-85 -102.68 3.66 37.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -70.77 -19.91 62.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -132.89 177.87 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.0 129.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 34' ' ' THR . 46.4 t -102.02 157.2 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.466 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.7 m -132.46 113.48 13.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.893 ' CG2' HD11 ' A' ' 23' ' ' LEU . 3.9 m -123.2 121.85 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 3.8 p30 -94.36 134.46 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.7 tt -118.21 115.46 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -84.66 142.84 29.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 17' ' ' LEU . 58.1 mt -136.6 106.38 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -85.12 151.89 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 64.5 t30 -129.41 102.53 18.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 54.1 Cg_endo -69.74 -32.94 17.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' HD11 ' A' ' 14' ' ' ILE . 88.0 p -61.31 162.17 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.46 23.17 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.0 ptm180 -138.62 151.34 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.65 152.11 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 14' ' ' ILE . 17.5 t -140.84 131.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 109' ' ' MET . 25.2 m -88.05 131.48 34.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.9 p90 -133.64 153.82 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -137.79 116.33 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.1 130.71 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -159.4 134.68 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' ALA . 7.2 t -135.3 150.05 49.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.8 p -40.58 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -106.41 87.87 2.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -35.06 13.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -94.89 -44.11 7.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.793 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.2 ttm180 -56.7 -30.94 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -115.42 136.8 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.9 t -121.46 91.86 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 78' ' ' VAL . 3.0 m -91.46 134.11 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 60.5 ttt180 -151.59 123.07 3.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.1 Cg_endo -69.73 155.28 93.25 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -90.58 -0.6 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -173.04 154.82 2.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 164.86 -178.47 39.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.6 mt -109.01 137.1 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.838 HD12 HD13 ' A' ' 15' ' ' LEU . 6.6 mt -99.43 109.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.8 151.19 1.65 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.9 Cg_endo -69.73 126.0 12.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.398 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.15 42.12 68.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m -145.2 162.13 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.08 129.51 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.536 HG21 HG12 ' A' ' 68' ' ' ILE . 57.8 t -111.59 136.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 3.4 m -112.44 114.94 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -95.8 134.82 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -80.64 96.52 6.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 61' ' ' VAL . 10.4 t -96.19 93.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -86.3 149.5 25.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.592 HD21 ' HE2' ' A' ' 83' ' ' PHE . 2.4 tt -124.6 116.36 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.76 142.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 138.01 36.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HE2' HD21 ' A' ' 80' ' ' LEU . 11.7 p90 -154.79 164.02 39.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 18.7 p-10 -65.13 85.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -50.89 107.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -101.67 115.18 65.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -15.81 37.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -83.95 -25.77 29.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -99.46 63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -95.67 161.99 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t 54.64 39.67 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -120.62 38.74 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.697 ' CE1' ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -173.2 163.77 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -160.05 175.02 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -138.46 117.21 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 12.5 mtm -120.99 125.24 46.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 136.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -100.73 141.33 33.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.2 p -144.17 140.3 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.574 HG22 ' CH2' ' A' ' 113' ' ' TRP . 5.7 tt -153.45 147.01 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 18.1 m-85 -65.32 141.26 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.63 28.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 159.15 54.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.82 29.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -124.96 18.32 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -39.59 127.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -119.39 -61.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -124.09 119.51 29.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 48' ' ' CYS . 3.5 mtt -46.54 -52.91 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.98 -38.92 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.76 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.94 -57.43 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.574 ' CH2' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -59.21 -37.83 78.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -63.04 -50.18 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.64 -32.72 71.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.55 136.21 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -88.82 152.63 49.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.2 30.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.42 -20.68 18.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -100.76 -21.71 15.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.93 132.76 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 57.9 mtm -102.74 156.78 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.27 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -138.87 122.17 17.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.75 112.09 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.5 tt -134.57 125.93 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.658 ' N ' HD23 ' A' ' 126' ' ' LEU . 29.5 ttm180 -98.33 130.39 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 93' ' ' HIS . 48.2 m -87.72 134.4 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.5 t -117.82 129.76 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.697 ' CZ ' ' CE1' ' A' ' 93' ' ' HIS . 43.8 m-85 -87.95 109.24 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -111.15 162.19 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.6 mtp -135.13 146.31 57.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.52 0.676 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.75 148.22 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.89 137.14 58.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 136' ' ' ASN . 3.4 p-10 -116.3 152.48 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.35 15.37 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -94.43 152.01 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tp -113.11 147.61 36.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.89 145.99 35.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.83 137.35 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.4 p -120.69 166.26 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -166.9 158.07 30.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 178.34 4.62 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t -165.37 173.71 10.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.2 t -63.53 87.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -55.67 143.35 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -128.72 -54.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.13 92.94 2.15 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -77.89 128.63 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -63.01 150.61 42.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.9 125.11 38.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpp? 38.55 47.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.99 142.32 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -126.43 67.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 58.66 47.87 12.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.9 36.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 2.9 tp-100 -83.51 120.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tp -66.92 -37.92 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -90.76 131.33 36.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.6 t -90.77 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.05 156.67 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 19.9 m-20 -148.79 118.4 4.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.72 40.26 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -34.29 14.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -71.83 -75.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.11 151.83 40.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HE1' ' A' ' 25' ' ' PHE . 31.0 tp -95.62 101.39 13.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -85.9 138.5 31.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.434 ' HE1' HD23 ' A' ' 23' ' ' LEU . 15.8 m-85 -111.44 129.7 55.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -90.96 119.31 31.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.94 -161.13 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.93 88.92 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.349 0.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 66.9 m-85 -93.24 12.75 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -79.93 12.08 2.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -167.12 170.25 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 81' ' ' GLN . 67.8 t -55.5 121.68 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.27 142.64 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -115.06 129.42 56.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.8 m -130.36 123.03 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 122.62 33.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -104.72 108.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -79.74 129.01 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -120.97 103.69 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -85.93 137.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -117.03 98.86 52.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -34.97 13.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -58.02 159.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -106.85 42.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 146.44 15.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -47.36 140.5 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 101' ' ' PHE . 29.5 t -140.82 122.74 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 67.8 m -79.72 157.05 27.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -156.53 136.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 12.1 mtmt -119.68 123.22 43.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 61' ' ' VAL . 1.9 t -86.82 106.07 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -129.0 129.45 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 55' ' ' ALA . 14.4 t -141.2 163.64 32.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 54' ' ' THR . 2.2 p -66.88 -5.63 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.614 ' H ' HG23 ' A' ' 53' ' ' THR . . . -109.8 83.16 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.698 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -95.92 -46.31 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 48.0 mtt85 -54.26 -37.94 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -112.4 131.52 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.1 t -122.54 92.04 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 51' ' ' VAL . 38.3 t -87.12 130.87 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 2.4 mmt180 -147.01 121.84 5.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.5 Cg_endo -69.78 152.61 92.51 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.367 0.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -84.95 -4.28 59.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -172.08 172.83 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.81 -169.13 31.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -122.04 140.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.4 HD12 HD13 ' A' ' 15' ' ' LEU . 84.1 mt -102.04 117.02 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.2 153.66 1.62 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 111.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.52 38.61 12.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 m -139.75 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.53 135.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.34 136.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -107.34 104.13 13.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.6 t -87.51 136.94 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -96.6 107.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.16 94.18 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -79.64 98.05 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -88.39 116.02 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.659 ' OE1' HG22 ' A' ' 32' ' ' VAL . 22.3 mm-40 -65.56 157.18 79.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HD2' ' OE1' ' A' ' 81' ' ' GLN . 53.7 Cg_endo -69.76 150.09 67.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.2 159.8 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.63 103.29 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -65.83 112.47 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.96 129.46 24.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.642 0.734 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.43 10.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 27.1 t-20 -98.61 27.91 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -41.8 -32.24 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' OE2' ' A' ' 89' ' ' GLU . 32.3 tttm 33.74 45.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -100.18 -176.16 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -124.83 41.35 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -75.1 137.36 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -145.09 172.74 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -145.52 117.25 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 20.5 mtm -121.78 138.01 54.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.95 129.42 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -99.71 147.32 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.3 p -150.31 144.89 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 tt -159.33 137.83 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.647 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.8 m-85 -48.54 148.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -111.88 133.34 21.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 159.38 53.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.12 3.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -86.93 14.48 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 112' ' ' VAL . 2.8 tt -39.28 103.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 t -91.05 -70.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.73 126.52 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -16.46 63.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -91.24 -29.19 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.97 85.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 106' ' ' ILE . 94.9 t -52.84 -46.23 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.514 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.5 m95 -68.19 -37.67 81.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -64.01 -59.22 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -58.65 -39.66 81.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.3 135.2 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -96.13 155.33 38.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -2.72 10.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.59 -11.67 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.74 -10.21 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.59 131.89 39.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -104.39 121.65 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 124' ' ' SER . 8.5 t70 -119.1 166.07 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 3.6 m -141.93 147.26 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -100.46 112.49 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.4 tt -127.8 129.36 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.456 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.4 ptm180 -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.56 117.78 20.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.04 145.1 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 8.8 m-85 -111.85 114.15 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.44 162.53 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 80.1 mmm -108.92 152.8 42.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -11.85 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.77 132.46 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 159.72 41.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -71.58 116.32 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.96 161.46 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -103.74 149.33 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.38 -57.55 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -143.99 134.91 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -123.8 111.99 16.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.2 t -86.27 100.16 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -112.35 151.03 18.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 145' ' ' SER . 53.7 Cg_endo -69.72 -14.64 36.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 144' ' ' PRO . 64.3 p -34.96 140.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.5 t -71.59 -43.34 66.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -149.46 129.48 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -64.38 140.15 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.2 76.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -149.46 128.81 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.4 p -174.17 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.14 -126.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mmt -94.28 -24.46 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.04 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -100.63 -49.91 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -128.17 125.18 38.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -111.65 40.37 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 4.5 pt20 -98.45 165.48 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.524 HD11 ' HB3' ' A' ' 43' ' ' SER . 9.0 tp -79.97 -34.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 99' ' ' THR . 12.5 mt -95.99 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 40' ' ' GLN . 2.4 p -83.43 111.08 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 mp -71.28 167.28 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -153.13 117.33 2.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.29 38.01 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.36 -0.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -35.0 13.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 m -68.37 -76.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.46 155.4 43.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' H ' HD21 ' A' ' 126' ' ' LEU . 40.3 tp -98.44 111.7 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -88.25 139.03 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.531 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 37.0 m-85 -112.61 114.56 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -81.06 120.98 25.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.01 -160.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 161.42 86.26 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.34 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 38.1 m-85 -95.33 33.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.4 p -103.44 -34.65 8.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -120.03 177.75 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.58 124.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.81 138.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.7 m -109.97 113.22 25.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.531 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 85.8 m -116.72 119.95 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 1.6 m-20 -94.16 121.87 36.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.76 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -84.07 129.68 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 53.9 mt -120.74 103.55 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.601 ' HB3' HG13 ' A' ' 16' ' ' VAL . 42.8 tt0 -86.85 154.79 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -134.43 98.69 13.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 -15.81 37.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' ' 14' ' ' ILE . 53.2 p -75.93 172.99 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.95 32.5 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 17.1 ptp180 -153.19 141.6 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -40.71 153.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 15' ' ' LEU . 62.6 t -145.94 130.04 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 80.6 m -88.66 126.24 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -128.19 132.49 48.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 22.1 mtmt -120.39 114.84 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 61' ' ' VAL . 20.1 t -77.43 106.09 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -109.99 118.68 37.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -141.13 141.09 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -83.94 23.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.97 63.23 55.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -73.4 -35.39 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -83.35 -56.25 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 5.5 m-85 -97.89 141.45 30.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 m -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 51' ' ' VAL . 65.2 t -88.97 129.47 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 7.4 tpt180 -152.06 121.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 156.22 92.96 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.323 0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -67.97 -25.86 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 p -171.87 174.26 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.27 -157.22 29.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.4 mt -122.63 142.07 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -106.01 124.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.97 151.53 55.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.18 10.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.93 33.74 65.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.6 m -137.85 170.97 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.5 133.75 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.03 134.97 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.9 m -107.02 104.55 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.67 151.13 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -98.76 98.85 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.4 95.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.03 153.45 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 81' ' ' GLN . 5.3 tt -134.77 122.71 22.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.501 ' O ' HD23 ' A' ' 80' ' ' LEU . 4.8 mp0 -66.24 142.08 97.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.87 24.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.37 169.51 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.84 111.1 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.86 124.32 20.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 89' ' ' GLU . 20.9 m-20 -116.94 92.15 38.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -32.27 18.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -99.47 34.36 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' CB ' ' A' ' 86' ' ' ASP . 9.8 tp10 -134.39 134.13 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -73.35 140.47 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -102.31 136.16 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -100.85 -44.53 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -40.97 145.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -137.92 164.74 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.16 113.75 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.0 146.28 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -139.8 121.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.6 138.93 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 15' ' ' LEU . 36.9 p -137.94 140.43 40.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 tt -151.36 137.4 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 14' ' ' ILE . 44.8 m-85 -50.55 143.65 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.87 145.18 31.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.77 19.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -103.69 28.34 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -45.86 126.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -115.96 -61.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.0 t0 -105.65 113.01 26.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.59 -55.83 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 10.0 pt-20 -51.92 -51.4 57.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 108' ' ' ASP . . . -49.49 -45.94 47.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 108' ' ' ASP . 92.2 t -52.54 -60.03 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 87.6 m95 -50.03 -44.19 51.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.2 -58.51 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -55.6 -37.08 67.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.03 133.2 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.34 155.5 38.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.54 -19.65 27.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -109.07 -26.47 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.64 133.66 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.0 ptp -127.63 132.02 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.94 167.38 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 121.45 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.96 106.83 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -119.84 131.46 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.523 ' N ' HD23 ' A' ' 126' ' ' LEU . 24.7 ttm180 -105.81 120.75 42.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.2 m -78.72 132.12 36.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.77 127.93 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 46.9 m-85 -90.27 112.49 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.544 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 25.4 mt-10 -100.97 148.08 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 ttm -131.15 128.95 22.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 98.29 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -141.42 -176.73 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -88.32 111.71 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.31 151.7 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.62 175.2 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -81.18 99.0 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 tt -103.1 108.52 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -156.45 129.66 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -129.76 87.27 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.1 p -129.11 105.84 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.45 -157.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.42 5.33 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.9 m -161.37 163.39 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.1 p -76.33 167.5 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -133.51 -55.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -49.01 -51.19 32.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 133.02 11.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -142.18 159.16 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 p -170.85 142.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.7 -128.56 6.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mtt 42.42 42.62 2.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.23 114.74 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 39.47 42.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -109.5 41.86 1.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.01 9.76 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 155.83 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 15' ' ' LEU . 5.8 tp -84.35 -43.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 mt -83.74 125.17 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.5 t -86.41 101.84 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD23 ' A' ' 39' ' ' LEU . 5.8 mp -68.68 165.73 18.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 29.5 m-20 -153.9 117.69 2.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.68 39.89 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.355 -0.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -31.97 19.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.722 2.282 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -73.79 -75.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.0 p-10 -144.12 151.6 39.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.0 tp -99.15 108.35 20.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -86.84 141.5 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 23' ' ' LEU . 16.9 m-85 -111.53 122.71 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -85.45 112.64 21.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.09 -161.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.3 92.84 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.322 0.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 130' ' ' PHE . 27.1 m-85 -90.02 28.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.5 p -96.34 -36.55 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.97 174.64 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.79 121.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.53 149.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -122.51 110.07 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 23' ' ' LEU . 93.8 m -116.28 121.79 43.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 11.6 m-20 -91.96 121.4 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.05 114.36 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 18' ' ' ASP . 27.9 mttt -81.74 147.03 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 17' ' ' LEU . 13.4 mt -141.04 105.9 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -89.64 153.93 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 50.2 t-20 -124.47 98.72 37.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.703 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.6 Cg_endo -69.78 -21.54 33.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.7 p -81.22 156.95 25.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -100.04 35.54 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 47' ' ' VAL . 17.0 ptp180 -152.65 130.46 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HD3' HG21 ' A' ' 67' ' ' ILE . 47.9 mttt -36.67 147.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 45' ' ' ARG . 93.8 t -143.51 122.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -76.15 135.9 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -133.07 131.25 40.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 10.6 mmtt -114.04 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG21 ' A' ' 61' ' ' VAL . 30.7 t -87.23 123.87 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -142.84 133.1 24.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.6 t -136.3 149.78 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 49.2 p -53.26 -28.5 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.7 73.46 1.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.93 33.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -95.74 -26.5 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 58' ' ' ARG . 22.6 ttm105 -107.28 36.1 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.756 ' CE1' HD23 ' A' ' 80' ' ' LEU . 5.6 m-85 -153.2 139.38 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.96 101.42 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 51' ' ' VAL . 99.2 t -104.2 132.37 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 41.3 ttt-85 -152.31 122.29 3.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.717 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.81 150.77 90.81 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.3 0.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.01 -28.59 70.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 p -172.58 156.34 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.6 -157.52 18.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.457 HG21 ' HD3' ' A' ' 46' ' ' LYS . 55.4 mt -124.07 143.63 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 74' ' ' VAL . 56.9 mt -108.96 112.33 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -48.11 152.18 1.54 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 122.65 9.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.21 39.03 24.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -146.72 169.06 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.1 mt -125.14 133.53 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.498 HG23 HG23 ' A' ' 68' ' ' ILE . 92.8 t -113.34 135.06 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 11.6 m -105.51 103.67 13.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.17 137.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 m -86.52 120.91 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.92 98.84 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -90.28 122.99 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.756 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -108.35 113.69 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.5 mp0 -59.38 141.05 87.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.19 64.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.39 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -160.45 171.32 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.83 86.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.6 102.02 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.56 113.2 45.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.565 0.698 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.87 1.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -48.74 -47.44 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.07 127.21 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -43.9 121.3 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 p -86.94 121.25 29.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -115.99 100.32 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 128' ' ' CYS . 14.3 p-80 -171.4 150.11 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -161.91 157.36 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.11 121.14 44.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -118.61 103.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.7 t -97.41 132.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -98.76 146.65 25.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.8 p -148.55 129.24 14.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.2 tt -141.98 140.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 35.6 m-85 -58.14 139.13 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.56 139.33 20.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.551 0.691 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.88 58.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.377 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.13 26.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -104.96 19.27 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.5 tt -41.74 123.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -122.9 -69.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.672 ' HB2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 m-20 -87.89 92.72 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -48.31 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -54.25 -44.24 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.72 -53.33 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 50' ' ' LYS . 16.2 m95 -54.57 -41.9 70.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -64.04 -55.97 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -56.75 -39.01 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.71 123.29 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -86.81 155.29 55.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.22 29.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.31 -23.46 51.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -103.48 -26.8 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.58 123.0 18.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.3 mtm -98.39 148.98 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 175.71 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -139.03 134.09 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -93.91 106.85 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -122.88 135.76 54.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.61 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.5 ptp180 -103.12 132.44 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 93' ' ' HIS . 84.3 m -92.02 131.21 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.6 t -114.29 114.22 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.467 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 17.7 m-85 -87.51 107.67 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -107.84 164.38 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.8 mtp -120.4 154.36 56.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.43 6.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -139.44 105.36 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 62.11 51.99 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -84.79 50.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -159.44 128.02 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 140' ' ' ASN . 0.0 OUTLIER -122.88 85.86 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 139' ' ' LEU . 3.0 tt 34.09 33.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 138' ' ' LYS . 6.3 p-10 -117.4 129.58 55.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -136.01 128.35 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 74.8 m -94.98 125.46 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.22 151.23 45.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.08 32.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.4 p -159.73 163.95 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 166.21 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -54.65 110.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -89.87 -53.65 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.91 51.08 1.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -68.72 163.99 22.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -100.71 89.88 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.4 147.18 18.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ptp -130.63 97.57 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.96 150.71 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 3.0 mppt? -122.4 96.71 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -93.95 133.34 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -108.82 49.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -134.05 170.95 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 43' ' ' SER . 2.0 tp -81.05 -22.79 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD13 HD12 ' A' ' 68' ' ' ILE . 43.7 mt -94.99 177.13 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.45 113.63 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD13 HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.55 151.55 36.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.4 t0 -149.64 116.4 3.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.6 Cg_endo -69.75 137.43 43.79 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.332 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.85 15.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.7 m -72.04 -75.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -143.76 148.09 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 35' ' ' THR . 47.5 tp -92.26 103.27 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.93 139.18 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -116.22 116.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -81.71 121.92 26.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.08 -158.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.89 65.85 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.348 0.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 33.6 m-85 -99.68 11.61 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -97.06 -17.19 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 12.7 t0 -135.22 178.13 7.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.07 133.13 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 34' ' ' THR . 59.5 t -103.59 162.97 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.598 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.6 m -133.8 113.18 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 23' ' ' LEU . 17.7 m -126.83 121.02 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -94.09 129.53 40.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -112.39 114.48 27.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -87.4 147.82 25.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.613 HD21 HD13 ' A' ' 17' ' ' LEU . 10.7 mt -138.76 107.18 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.78 148.2 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 50.4 t30 -128.49 98.79 24.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.7 Cg_endo -69.75 -30.93 21.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.2 p -64.16 158.07 23.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -105.13 34.98 2.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.9 ptt180 -148.27 137.56 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -45.73 138.74 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 45' ' ' ARG . 87.0 t -133.73 125.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.34 147.42 27.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -148.21 141.27 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -122.15 111.31 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 HG11 ' A' ' 61' ' ' VAL . 15.3 t -77.32 105.9 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -128.24 127.19 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 55' ' ' ALA . 2.8 t -126.78 153.35 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.8 p -64.77 -20.46 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -112.12 73.34 1.28 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.83 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -80.5 -1.01 39.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.8 ttp180 -114.11 -15.91 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.31 132.45 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -112.25 95.31 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.74 HG22 HG13 ' A' ' 78' ' ' VAL . 83.6 t -97.9 132.72 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.1 ttt85 -152.43 121.92 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.72 161.15 86.65 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.36 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.27 -16.65 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 p -164.99 167.04 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.23 -166.09 35.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 26.1 mt -124.03 142.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.537 HD12 HD13 ' A' ' 15' ' ' LEU . 54.1 mt -103.13 118.11 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.41 147.86 2.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.75 107.24 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.8 36.66 6.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.0 m -146.35 168.49 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mt -119.59 134.2 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 68' ' ' ILE . 25.0 t -110.93 136.46 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -110.91 104.13 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 77' ' ' SER . 40.7 t -87.8 157.02 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' VAL . 64.8 m -103.69 122.95 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 61' ' ' VAL . 5.2 t -126.41 95.21 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 mtm -89.35 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tt -100.46 121.81 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.28 144.79 87.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.74 128.33 15.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -149.42 165.9 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 99.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.13 107.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -118.47 92.23 43.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.701 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.62 25.12 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -64.7 -35.42 80.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -71.78 131.77 43.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 110.75 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -63.28 147.39 51.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 25.55 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -111.66 157.88 19.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -146.85 163.13 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.8 t80 -125.46 126.37 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.9 mtm -133.46 134.86 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 142.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.74 133.89 52.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.2 p -138.34 136.04 35.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.449 ' HA ' ' CE ' ' A' ' 122' ' ' MET . 2.3 tt -153.1 139.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HG12 ' A' ' 14' ' ' ILE . 57.3 m-85 -50.05 153.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.08 138.13 19.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 167.74 23.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.69 27.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' SER . 91.5 m-20 -107.78 13.7 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 106' ' ' ILE . 4.1 tp -37.2 94.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' ASN . 2.9 m -119.33 -49.29 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -102.49 96.66 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 58.6 mmm -50.48 -56.86 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.74 -46.02 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.83 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.56 -55.5 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.28 -33.44 67.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -65.65 -55.49 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.47 -37.66 88.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 130.75 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -93.89 153.78 40.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.33 15.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.08 -21.47 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -107.0 -27.73 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 128.56 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 100' ' ' ILE . 23.7 mtm -99.67 146.23 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.74 165.12 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -131.99 116.5 17.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.44 114.89 22.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.774 HD23 ' C ' ' A' ' 126' ' ' LEU . 2.4 tt -143.48 131.85 22.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.461 ' N ' HD23 ' A' ' 126' ' ' LEU . 22.3 ttm105 -104.07 137.64 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.7 m -83.53 135.77 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.55 121.03 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -87.55 113.56 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -105.81 147.45 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 6.5 tpt -84.99 134.25 41.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -53.96 -19.26 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -123.08 75.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -45.59 -42.19 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -149.88 134.33 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' LEU . 11.4 tttm -91.06 134.39 34.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' LYS . 15.5 mt -36.81 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -136.5 173.39 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.68 146.57 50.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 91.5 p -47.46 175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -131.3 175.28 19.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -16.21 37.4 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -97.85 96.2 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -133.12 169.35 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 p -169.4 175.41 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -159.86 129.57 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.84 84.61 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -130.21 125.95 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -155.97 154.8 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.19 107.01 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -82.21 132.1 35.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.61 167.48 22.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -144.18 122.38 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -144.55 -179.44 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -122.71 34.43 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 13.3 tt0 -80.06 138.72 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -99.61 -35.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 99' ' ' THR . 12.0 mt -95.18 124.09 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.4 m -89.13 143.17 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 17' ' ' LEU . 5.0 mp -108.75 163.74 13.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 24.5 t70 -148.34 117.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.81 40.69 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.315 0.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -33.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -68.23 -77.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -144.13 153.77 42.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 126' ' ' LEU . 27.4 tp -90.61 111.46 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' CD ' ' HB ' ' A' ' 129' ' ' VAL . 1.3 mmmm -89.76 140.17 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -117.52 129.76 56.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -89.78 109.42 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.22 -162.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 175.2 37.44 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 23.7 m-85 -103.05 15.01 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -87.93 -5.86 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -144.46 162.64 36.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.55 119.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.43 145.03 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 126.43 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -129.0 139.93 51.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -104.21 128.87 51.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.87 104.19 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -75.76 135.61 40.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.4 mt -127.96 103.83 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 10.0 tt0 -88.08 145.31 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 47.7 t-20 -115.74 98.87 51.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 -31.11 21.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -61.37 166.29 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -102.35 19.98 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -145.51 163.43 34.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 24.0 mtpt -62.89 148.44 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.458 ' HB ' HD11 ' A' ' 15' ' ' LEU . 47.8 t -140.47 121.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 85.3 m -75.08 125.76 29.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.7 p90 -117.35 136.01 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 23.6 mmtt -120.17 121.93 39.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 61' ' ' VAL . 6.4 t -97.61 112.84 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -148.88 127.19 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' ' 95' ' ' PHE . 4.0 t -119.98 168.48 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -77.0 -15.8 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.93 62.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.36 26.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.04 -18.87 64.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -124.44 23.74 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -146.4 123.98 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.5 m -123.53 92.17 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 51' ' ' VAL . 95.3 t -90.21 136.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.7 ttm180 -148.26 121.08 4.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.82 155.29 93.49 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.333 0.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -80.94 -19.92 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.57 161.81 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.48 -162.41 35.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 71.3 mt -115.5 144.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 49' ' ' PHE . 66.1 mt -112.19 114.18 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -48.7 151.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.67 21.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.626 2.218 . . . . 0.0 112.305 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.5 38.29 95.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -139.01 170.97 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -124.42 134.1 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 HG12 ' A' ' 68' ' ' ILE . 21.6 t -112.74 136.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -105.72 99.92 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.07 137.37 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -92.36 106.89 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 61' ' ' VAL . 48.3 t -99.57 94.55 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -77.7 126.94 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -115.86 113.02 22.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' N ' HD22 ' A' ' 80' ' ' LEU . 12.3 mm-40 -66.44 156.66 85.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.66 45.75 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.04 161.23 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -77.46 110.19 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 130' ' ' PHE . 1.7 t80 -105.36 118.08 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -118.55 117.59 34.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.58 30.53 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -52.3 -45.76 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.76 142.75 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 tttp -50.02 147.82 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.2 p -49.26 118.79 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -126.04 47.13 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -148.25 135.95 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.08 153.76 35.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.414 ' HZ ' HG21 ' A' ' 61' ' ' VAL . 4.8 t80 -133.39 115.92 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -102.9 132.5 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.7 t -122.84 126.43 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -102.97 138.95 39.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.495 HG21 ' HB2' ' A' ' 15' ' ' LEU . 53.3 p -140.36 137.11 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.46 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 4.3 tt -157.5 136.56 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -51.31 155.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 137.75 20.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.504 0.669 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.49 53.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -44.65 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.85 29.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 tt -54.29 112.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.6 m -111.33 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.4 m-20 -96.6 88.72 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -37.73 -53.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -53.57 -52.39 59.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.443 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -45.02 -50.17 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.45 -54.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CZ3' ' CG2' ' A' ' 100' ' ' ILE . 55.7 m95 -57.43 -41.25 80.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -60.27 -59.22 5.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.28 -36.94 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 133.66 6.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -91.33 151.2 42.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.75 29.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.331 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' C ' ' OE1' ' A' ' 120' ' ' GLU . 3.8 m-20 -98.53 -18.08 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -103.07 -18.3 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.83 125.95 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -91.96 129.41 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.43 157.86 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -138.86 127.57 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.2 116.25 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 126' ' ' LEU . 67.7 ttt180 -101.13 137.33 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.8 m -100.4 123.49 44.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.477 ' HB ' ' CD ' ' A' ' 24' ' ' LYS . 20.2 t -95.12 129.03 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.488 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 27.7 m-85 -97.83 108.94 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 7.9 mt-10 -105.01 167.15 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 mtp -135.86 135.25 21.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.695 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 150.86 68.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -105.51 128.83 53.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -79.86 89.76 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -106.33 171.23 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -125.6 119.5 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.53 136.9 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 13.9 tp -84.89 109.52 18.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -110.36 109.51 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.3 109.11 6.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.8 m -163.79 176.82 9.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -56.66 -158.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.4 m -88.68 -62.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.2 t 58.34 39.78 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -67.54 99.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -158.6 157.24 31.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.66 134.55 3.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -163.25 175.97 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -127.77 177.07 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.01 122.07 2.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -142.62 132.13 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.17 126.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -89.95 29.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -76.27 136.92 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -130.17 134.63 47.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -153.73 151.04 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 tp -79.73 -36.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 HD12 ' A' ' 68' ' ' ILE . 10.0 mt -85.7 120.19 26.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.33 104.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -70.08 163.1 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -147.02 117.12 4.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.554 0.692 . . . . 0.0 110.846 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 54.1 Cg_endo -69.75 136.97 41.38 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.24 29.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -83.48 -76.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -144.67 154.54 42.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.7 HD11 ' CG2' ' A' ' 35' ' ' THR . 57.6 tp -96.11 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -96.58 139.83 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 23' ' ' LEU . 69.7 m-85 -117.68 105.95 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -73.09 119.45 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.33 -160.39 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.19 86.62 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.341 0.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 34.2 m-85 -91.05 2.46 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -58.81 -23.07 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 5.1 t0 -136.21 -174.72 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.99 128.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 34' ' ' THR . 42.2 t -100.2 156.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.3 m -117.12 105.81 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.7 ' CG2' HD11 ' A' ' 23' ' ' LEU . 82.0 m -110.93 129.37 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -103.18 120.36 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.5 tt -103.46 104.11 14.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 73' ' ' ILE . 43.0 mtpt -79.28 145.54 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 16.9 mt -131.01 106.13 8.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.23 148.9 24.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -126.85 98.8 30.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.78 34.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -70.19 162.08 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.8 25.78 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.4 ptp85 -146.01 157.76 43.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -61.14 155.67 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.07 125.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 23.0 m -80.01 139.56 36.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.1 137.77 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 26.6 mtmt -127.44 121.94 32.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.58 HG21 HG11 ' A' ' 61' ' ' VAL . 16.4 t -78.05 127.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -147.08 119.61 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -136.8 167.34 21.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.8 p -63.97 -14.28 52.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -115.45 80.06 7.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -88.33 -58.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.2 ttt180 -38.74 -37.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CE1' HD23 ' A' ' 80' ' ' LEU . 8.4 m-85 -105.32 152.92 22.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -127.18 92.0 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 HG21 ' A' ' 51' ' ' VAL . 97.2 t -91.34 128.68 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.7 mtp180 -146.97 123.04 5.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.76 156.26 92.88 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.347 0.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.1 p -172.03 163.79 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.89 -159.89 32.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mt -129.28 144.97 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 HD13 ' A' ' 15' ' ' LEU . 45.6 mt -108.02 123.06 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -52.71 157.23 2.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.3 Cg_endo -69.79 121.63 8.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.61 39.73 67.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.0 m -138.87 164.95 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 38' ' ' LYS . 59.7 mt -119.44 132.86 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 68' ' ' ILE . 88.4 t -113.97 127.74 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.92 109.89 21.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.36 145.12 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 m -99.93 102.78 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -105.94 91.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -82.17 111.33 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -94.13 111.65 23.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.492 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mm100 -66.32 155.89 86.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.487 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.74 134.46 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 1.1 p90 -161.74 119.13 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -57.02 81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 87' ' ' PRO . 1.4 p90 -68.81 127.71 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 9.7 m-20 -115.45 103.85 53.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.559 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -25.47 28.57 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -90.5 -29.16 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -84.47 -23.33 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.13 139.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 m -126.6 79.9 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -135.35 105.51 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.3 OUTLIER -162.38 129.16 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -158.87 160.59 36.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -143.31 120.98 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -118.88 148.02 43.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.16 131.44 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.62 125.43 50.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -128.53 144.28 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.7 tt -159.69 139.74 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -52.88 145.69 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -106.94 133.47 20.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.32 57.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -35.34 12.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -95.88 25.05 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 106' ' ' ILE . 2.2 tt -51.27 101.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.9 m -95.42 -64.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 112' ' ' VAL . 65.4 m-20 -100.77 126.0 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.4 tpt -68.44 -38.94 81.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -69.66 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.25 95.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 108' ' ' ASP . 62.0 t -62.68 -51.97 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.512 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 66.7 m95 -60.44 -26.54 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -76.51 -56.09 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.35 -36.95 83.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.09 119.46 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -85.94 155.73 58.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.78 19.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -89.42 -16.04 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -114.06 -9.93 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.636 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.1 mt -82.27 137.63 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -110.87 120.4 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 124' ' ' SER . 10.3 t70 -105.79 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 35.0 m -140.13 120.2 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -85.6 112.37 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.7 tt -121.6 143.41 49.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.754 ' N ' HD23 ' A' ' 126' ' ' LEU . 52.2 ttt180 -111.26 106.7 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.443 ' O ' ' ND1' ' A' ' 93' ' ' HIS . 2.8 m -69.77 116.25 9.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.54 129.87 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 80.9 m-85 -93.0 110.85 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.69 157.67 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 18.0 mtp -139.84 148.89 57.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.06 4.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.21 111.8 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -151.78 134.04 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.22 173.77 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 47.96 25.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.41 130.73 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.79 117.65 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -56.76 129.86 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.73 149.07 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.2 t -143.13 165.46 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.71 166.18 35.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.431 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -1.45 8.55 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.292 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 m -140.14 161.67 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 87.9 p -170.78 109.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -164.18 170.71 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 p -71.61 108.15 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.77 -107.25 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -130.76 -47.44 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 p -63.36 149.04 46.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.84 -135.79 3.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -132.78 161.39 34.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.63 172.48 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 64.96 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -93.78 93.33 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.11 93.31 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -139.96 150.07 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.045 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -109.27 -27.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.865 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.1 mt -104.3 129.57 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.66 104.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -73.37 159.15 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.0 m-20 -153.96 119.07 2.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.73 136.22 37.67 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.386 -0.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.43 12.75 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -67.96 -76.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.34 156.07 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 17.3 tp -98.88 105.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -81.43 153.04 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.71 109.62 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -73.3 118.74 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.77 -160.93 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.15 33.71 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.387 0.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 24.3 m-85 -103.28 21.45 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t -88.73 -16.57 31.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.18 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.91 119.61 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.9 t -102.11 117.05 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -93.85 120.94 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -107.56 143.22 36.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -99.76 120.4 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.17 101.28 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -78.12 149.07 33.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 mt -134.81 104.58 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -84.66 153.89 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HA ' HD23 ' A' ' 15' ' ' LEU . 50.1 t30 -132.5 103.12 13.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.12 6.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.845 ' HB3' HD11 ' A' ' 14' ' ' ILE . 96.8 p -53.49 176.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.08 22.28 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.5 ptp180 -140.86 148.83 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -52.61 136.34 32.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 101' ' ' PHE . 99.0 t -131.16 135.87 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.3 m -86.55 146.88 26.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.48 ' CD1' HG13 ' A' ' 68' ' ' ILE . 18.6 p90 -148.6 130.96 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 46.1 mttt -117.29 145.45 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 61' ' ' VAL . 2.0 t -110.4 123.72 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 133.53 20.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.5 t -132.96 165.44 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -80.44 -11.89 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.59 62.0 23.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.553 0.692 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -40.59 5.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -58.43 -15.77 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -113.36 -28.67 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.14 124.22 49.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.71 94.25 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 46.5 t -87.36 123.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 17.4 mmm180 -138.72 123.21 11.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.78 161.92 85.25 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.361 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -98.78 -0.44 42.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -174.78 150.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.48 -160.68 32.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mt -128.19 138.9 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 49' ' ' PHE . 68.3 mt -101.88 124.02 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.12 152.47 29.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.43 53.24 3.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 m -155.96 163.17 40.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 88.8 mt -113.75 128.75 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.8 t -110.9 125.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.67 118.58 31.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.435 HG13 ' HD2' ' A' ' 63' ' ' PRO . 23.3 t -99.69 153.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.46 104.86 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 61' ' ' VAL . 22.2 t -96.1 93.74 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.452 ' CE ' ' HB2' ' A' ' 62' ' ' ARG . 5.1 mpp? -75.5 112.39 11.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.6 tm? -107.24 112.85 25.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.496 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mp0 -71.06 143.68 89.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 148.83 65.76 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -159.25 175.75 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.46 88.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -68.91 106.02 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.38 99.86 52.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -30.9 21.71 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.74 2.293 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -46.33 -45.41 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.97 -174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -109.34 129.5 55.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -58.08 133.29 55.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -125.3 39.41 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -128.56 134.36 48.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -125.98 148.89 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -118.7 126.98 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -128.63 140.37 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.7 t -127.25 129.48 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -101.9 153.03 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.865 ' CG2' HD12 ' A' ' 15' ' ' LEU . 31.6 p -152.46 130.19 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.43 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -147.81 129.29 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 47' ' ' VAL . 39.0 m-85 -44.3 154.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.42 20.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.705 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.43 30.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.71 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.08 21.55 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.482 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.6 tp -43.94 104.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -122.4 -54.46 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.2 92.87 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.7 mtp -50.44 -44.25 55.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.77 -37.99 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.47 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 106' ' ' ILE . 15.9 t -58.15 -62.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 96.3 m95 -49.92 -32.76 15.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -70.2 -58.04 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.91 -29.45 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.37 125.39 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -85.77 155.7 58.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.43 10.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.35 -18.89 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -108.59 -13.29 14.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.29 127.78 33.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.42 136.07 38.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.45 168.2 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.0 p -141.76 124.71 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -82.89 113.76 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.9 tt -129.69 151.03 50.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.885 ' N ' HD23 ' A' ' 126' ' ' LEU . 14.4 ptt85 -126.93 141.75 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.9 m -100.74 127.92 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.4 t -96.43 141.03 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -101.44 105.14 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -110.61 149.43 30.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ptm -144.47 146.57 33.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.26 31.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -56.57 -61.16 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.58 99.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -97.72 28.83 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.36 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -99.45 125.88 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tt -84.36 114.32 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.37 162.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -116.28 41.68 2.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.6 p -67.87 154.69 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 134.51 70.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 171.38 14.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -120.21 118.51 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.3 t -121.35 137.94 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 tp -107.5 -33.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 HD12 ' A' ' 68' ' ' ILE . 9.9 mt -90.61 125.24 35.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.34 104.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.5 mp -69.68 148.1 49.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.8 m-20 -142.32 119.58 7.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 54.4 Cg_endo -69.72 137.22 42.61 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.36 0.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.72 21.9 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.377 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 m -76.56 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -142.96 147.71 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 35' ' ' THR . 22.4 tp -96.44 107.11 19.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.48 154.27 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -129.38 117.82 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -81.83 117.3 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.29 0.27 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -177.25 14.15 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.364 0.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 20.8 m-85 -103.9 -17.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -83.06 9.7 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 10.0 t70 -149.84 168.05 24.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.35 130.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 26' ' ' LYS . 14.8 t -103.77 160.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.479 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.0 m -139.89 111.67 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 ' CG2' HD11 ' A' ' 23' ' ' LEU . 15.4 m -126.97 122.48 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.63 128.74 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -108.15 113.95 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -85.02 131.81 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 25.9 mt -123.58 105.41 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -87.51 144.74 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -123.92 98.83 38.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.26 24.06 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -62.89 167.38 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -112.77 26.47 10.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.5 ptp180 -141.8 148.26 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' HG21 ' A' ' 67' ' ' ILE . 79.3 mttt -50.36 147.51 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 45' ' ' ARG . 51.9 t -146.26 133.52 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -93.84 140.44 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -128.48 135.45 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HG3' ' CD2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -116.65 108.21 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 61' ' ' VAL . 29.6 t -76.31 118.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -138.59 128.63 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -127.15 165.88 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -78.57 -13.12 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.72 66.41 64.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.0 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -89.13 -31.17 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -108.63 24.73 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -143.13 131.62 22.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -122.78 94.09 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 51' ' ' VAL . 90.5 t -94.76 132.77 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.46 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 26.5 ttt85 -153.32 123.22 3.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.77 147.4 84.59 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.331 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.98 -3.93 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 96.0 p -172.84 173.64 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.0 27.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' LYS . 27.0 mt -115.65 134.17 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.479 HD12 HD13 ' A' ' 15' ' ' LEU . 78.5 mt -98.4 108.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.71 151.73 0.31 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.74 122.59 9.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.383 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 39.68 29.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.1 m -145.42 165.49 28.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.04 138.54 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 68' ' ' ILE . 37.1 t -114.84 140.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.7 m -107.92 101.68 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.445 ' CG1' HG13 ' A' ' 61' ' ' VAL . 84.2 t -87.38 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.8 m -95.58 110.57 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 61' ' ' VAL . 43.5 t -109.51 92.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.6 mtm -84.03 130.34 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 ' HE2' ' A' ' 130' ' ' PHE . 1.2 tt -103.48 117.97 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.64 143.65 86.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.72 119.76 6.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.18 112.64 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtm -111.0 119.43 39.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.55 126.57 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.73 140.26 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.0 p -142.22 139.23 31.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.546 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -157.06 137.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -52.37 156.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.3 141.56 23.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.1 22.53 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.59 29.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 23.9 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 4.3 tp -47.51 97.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.2 m -111.7 -57.67 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.4 t0 -102.33 115.38 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.42 ' SD ' HD11 ' A' ' 106' ' ' ILE . 73.1 mmm -68.39 -50.0 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.34 -29.35 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.29 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 106' ' ' ILE . 51.3 t -66.79 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.546 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 82.3 m95 -53.29 -30.79 40.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -72.69 -55.57 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.97 -37.19 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.33 130.44 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -89.63 153.33 47.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.07 -10.96 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -114.75 -26.57 7.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.69 125.52 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -94.52 133.57 37.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.6 168.89 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -139.81 135.05 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.6 tt -127.93 149.86 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.958 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -119.57 136.99 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 91.1 m -93.91 119.31 32.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.42 123.36 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 4.4 m-85 -89.77 114.1 25.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -105.71 167.55 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.542 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 5.7 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -68.76 -39.34 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD12 ' CG2' ' A' ' 99' ' ' THR . 66.1 mt -82.61 121.96 27.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.68 98.73 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 97' ' ' VAL . 4.8 mp -64.82 160.93 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 26.2 t0 -152.92 118.18 2.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.76 136.62 39.67 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.365 0.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.12 25.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.8 m -77.99 -75.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.92 148.5 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.673 ' H ' HD21 ' A' ' 126' ' ' LEU . 30.1 tp -89.03 92.53 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.94 148.58 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.9 m-85 -124.19 121.3 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -79.58 113.76 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.25 -161.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.16 33.64 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 0.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 64.2 m-85 -101.35 4.48 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -84.38 13.75 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -163.06 164.37 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG22 ' HD3' ' A' ' 82' ' ' PRO . 59.2 t -58.04 125.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 34' ' ' THR . 88.3 t -105.61 157.81 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.495 ' N ' HG12 ' A' ' 33' ' ' VAL . 9.4 m -128.52 124.11 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -132.79 123.8 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 5.4 p-10 -90.8 132.98 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.18 103.68 13.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.56 129.42 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' A' ' 17' ' ' LEU . 15.0 mt -122.91 107.14 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 41' ' ' ASN . 1.3 tm0? -88.6 146.38 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.5 ' H ' ' NE2' ' A' ' 40' ' ' GLN . 36.3 t-20 -126.35 98.8 31.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -19.54 35.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -75.44 165.32 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -107.44 14.46 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 ptt-85 -128.53 133.93 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -42.55 137.76 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 45' ' ' ARG . 57.9 t -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 62.6 m -81.45 137.42 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.5 p90 -134.66 133.42 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 24.4 mttm -113.22 119.45 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 61' ' ' VAL . 2.4 t -88.42 123.66 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -157.42 121.93 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 3.0 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -71.37 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' HH11 ' A' ' 58' ' ' ARG . . . -115.41 67.15 2.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.76 27.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -63.41 -28.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.577 ' HD2' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -109.77 0.98 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 58' ' ' ARG . 6.5 m-85 -119.37 131.34 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -123.16 95.98 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 51' ' ' VAL . 92.5 t -99.26 128.44 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 51.4 ttt180 -146.48 123.92 6.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 149.18 88.25 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.303 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -77.27 -13.62 59.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -168.48 161.56 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.85 -154.96 25.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -132.32 137.83 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 HD13 ' A' ' 15' ' ' LEU . 66.2 mt -100.99 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' ILE . 29.4 m-20 -36.9 149.86 0.16 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 113.78 3.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.69 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -140.62 -179.45 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG1' ' HG2' ' A' ' 40' ' ' GLN . 18.6 mt -130.11 135.92 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.96 135.11 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 25.1 m -109.61 101.35 10.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 61' ' ' VAL . 60.3 t -83.34 151.22 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 m -99.1 104.42 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 61' ' ' VAL . 21.7 t -106.76 93.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.98 130.34 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -103.56 111.57 24.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 4.4 mm-40 -58.37 154.15 34.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.655 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.792 0.33 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.502 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 7.7 t80 -129.86 124.08 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.12 130.97 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 17' ' ' LEU . 63.6 t -130.45 120.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -101.91 148.81 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.72 ' CG2' HD12 ' A' ' 15' ' ' LEU . 2.3 p -150.21 140.42 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.9 tt -158.07 151.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' N ' ' CG1' ' A' ' 100' ' ' ILE . 40.8 m-85 -68.03 143.98 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.2 139.57 21.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.29 46.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -83.47 21.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.52 117.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -106.93 -61.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -123.3 111.99 17.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 49.9 mtp -47.45 -38.24 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.63 -47.2 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.33 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.57 -59.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.6 m95 -49.72 -41.32 43.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.67 -55.5 26.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.56 -34.77 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.34 133.09 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -93.22 155.76 40.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.67 19.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -97.33 -9.35 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.43 -23.07 9.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 137.16 44.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.3 mpp? -108.46 142.06 39.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -122.14 170.79 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -141.81 123.61 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -87.86 111.22 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.0 tt -123.86 140.67 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.783 ' N ' HD23 ' A' ' 126' ' ' LEU . 34.5 ttm-85 -115.82 117.23 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.45 135.2 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.17 125.74 66.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 52.2 m-85 -89.29 107.96 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.547 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 8.0 mt-10 -101.12 165.59 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 29' ' ' PHE . 33.5 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.596 HD13 ' HZ ' ' A' ' 101' ' ' PHE . 6.8 tp -74.59 -37.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 68' ' ' ILE . 72.5 mt -89.95 131.03 36.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -86.04 107.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.6 mp -72.69 157.64 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -149.13 118.25 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.77 136.73 40.27 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.308 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -24.07 30.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -82.73 -76.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 14.9 m-20 -144.17 152.97 41.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' A' ' 25' ' ' PHE . 27.0 tp -94.3 112.43 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -92.32 139.27 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' HE1' HD23 ' A' ' 23' ' ' LEU . 29.6 m-85 -113.87 120.69 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.78 120.41 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 28' ' ' PRO . . . -63.85 -158.5 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HB2' HG22 ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.73 158.64 90.71 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.299 0.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 21.7 m-85 -92.13 30.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 28' ' ' PRO . 10.0 t -107.98 0.54 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -149.72 178.78 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.28 118.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -96.63 147.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -124.47 113.23 17.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -118.97 123.99 45.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 3.3 m120 -92.85 131.51 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.3 tt -111.12 110.67 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -79.69 133.38 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.2 mt -125.93 105.93 9.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.65 155.7 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' HA ' HD23 ' A' ' 15' ' ' LEU . 30.6 t-20 -134.38 98.81 13.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -34.32 14.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 14' ' ' ILE . 33.8 p -62.73 155.67 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.71 25.0 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.2 ptp180 -138.73 143.29 39.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.509 ' HD3' HG21 ' A' ' 67' ' ' ILE . 66.0 mttt -45.54 150.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' ARG . 90.7 t -146.21 121.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -83.57 132.02 34.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CE2' HG13 ' A' ' 68' ' ' ILE . 30.3 p90 -128.2 146.91 50.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 18.9 mtpt -133.2 123.99 26.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.46 120.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.64 120.63 24.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -136.01 144.64 45.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.3 p -65.45 -6.92 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -107.43 82.39 1.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -41.7 4.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -94.61 -43.39 8.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.729 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 12.2 mmt180 -62.18 -35.62 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 130' ' ' PHE . 10.9 m-85 -119.87 125.71 49.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.86 112.2 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 78' ' ' VAL . 81.8 t -108.69 129.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -148.07 123.94 5.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.71 153.02 92.71 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.351 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.98 -7.69 59.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -171.55 165.16 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.67 -169.87 35.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.509 HG21 ' HD3' ' A' ' 46' ' ' LYS . 38.1 mt -117.46 138.52 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.535 HD12 HD13 ' A' ' 15' ' ' LEU . 32.5 mt -101.92 113.18 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.04 145.26 9.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.71 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 27.2 29.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.9 m -137.82 168.39 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.4 134.09 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.22 132.3 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 4.2 m -105.39 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 61' ' ' VAL . 85.8 t -83.55 143.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -91.92 109.32 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 61' ' ' VAL . 11.8 t -109.47 94.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -82.43 135.46 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -121.26 112.83 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.571 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.1 mp0 -69.38 144.13 94.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.4 47.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.244 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HE2' ' CE ' ' A' ' 125' ' ' LYS . 13.2 ttmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -149.51 106.55 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.57 156.09 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.7 t -137.62 141.01 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -114.68 146.07 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.428 ' CG2' HD12 ' A' ' 15' ' ' LEU . 40.4 p -148.45 117.74 6.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.513 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 5.0 tt -133.83 141.49 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 74.6 m-85 -56.83 149.55 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.81 138.94 24.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 161.28 46.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -11.91 31.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -126.25 27.04 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.49 HD12 HG21 ' A' ' 112' ' ' VAL . 3.0 tt -50.52 99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.8 m -93.94 -56.66 2.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -126.81 130.13 49.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.5 mmm -47.36 -51.94 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.08 -41.41 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.05 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 106' ' ' ILE . 41.2 t -65.38 -58.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 88.2 m95 -58.93 -34.46 71.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.47 -55.52 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.49 -32.6 74.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.39 130.56 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -91.84 153.67 43.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.06 22.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -97.44 -4.41 38.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.44 -19.19 6.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.32 121.03 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -89.79 125.94 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.23 151.26 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -134.71 112.84 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.453 ' CE ' ' HE2' ' A' ' 94' ' ' LYS . 15.8 tptt -83.09 109.71 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.623 ' C ' HD23 ' A' ' 126' ' ' LEU . 6.6 tt -113.62 134.64 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.452 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.2 ttm180 -99.71 137.84 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.18 126.85 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.31 112.45 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 22.3 m-85 -86.19 104.62 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.573 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 64.7 mt-10 -97.18 167.21 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.4 mmm . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.784 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 tp -76.44 -30.4 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 68' ' ' ILE . 56.3 mt -84.65 130.31 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.0 t -84.59 99.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.5 158.89 28.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.9 t70 -153.46 118.45 2.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.4 Cg_endo -69.81 137.17 42.56 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.342 0.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 p -80.58 -74.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 7.5 m-20 -144.03 149.39 36.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 25' ' ' PHE . 17.6 tp -93.9 109.48 21.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.8 150.98 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CE1' HD23 ' A' ' 23' ' ' LEU . 13.6 m-85 -124.37 113.14 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.19 15.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.98 -159.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.77 83.49 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.39 0.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 20.6 m-85 -87.27 -12.97 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -58.61 -29.99 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.97 168.57 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 32' ' ' VAL . 2.8 p -66.23 122.64 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.28 148.61 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -115.9 111.32 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -112.01 134.36 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -107.87 122.96 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -101.99 111.52 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -82.4 138.5 34.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -131.42 103.62 6.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -86.65 158.67 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.34 99.05 14.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -22.13 32.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 p -71.57 -179.62 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.25 27.77 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.1 ptm85 -143.05 135.16 27.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -39.87 135.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.5 t -132.5 122.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 98.0 m -81.33 133.36 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 66' ' ' GLY . 25.7 p90 -130.58 148.12 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 16.0 mttm -131.08 142.08 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -105.19 123.13 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -143.18 130.32 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -141.05 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 p -70.17 -6.34 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -114.85 81.87 7.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.83 17.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.9 -55.18 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.2 tpp180 -53.4 -48.85 68.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -99.28 127.12 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -121.87 101.77 7.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 51' ' ' VAL . 58.5 t -93.09 129.73 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 42.3 ttp180 -145.94 122.61 5.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.4 Cg_endo -69.72 157.14 92.26 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.354 -0.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -87.65 -5.16 58.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p -172.02 147.48 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 177.14 -175.32 47.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.18 135.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 15' ' ' LEU . 67.9 mt -99.76 116.99 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.09 146.44 8.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.7 Cg_endo -69.75 109.97 2.44 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.63 43.68 4.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.4 m -154.74 -176.97 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.07 139.64 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.474 HG21 HG12 ' A' ' 68' ' ' ILE . 19.4 t -113.5 139.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -115.76 101.66 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.31 137.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -86.36 106.75 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -100.66 101.83 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.1 mtm -83.22 134.8 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -118.9 114.1 22.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.529 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.2 mp0 -68.83 141.62 92.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.39 8.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.4 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.2 tttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.49 133.66 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.0 mtm -129.4 114.57 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -112.37 123.15 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 31.9 tt0 -101.61 142.18 33.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.2 p -142.89 141.57 31.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.502 HG22 ' CH2' ' A' ' 113' ' ' TRP . 3.6 tt -154.0 146.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 45' ' ' ARG . 72.5 m-85 -63.97 136.03 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.4 138.55 20.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.87 44.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.03 30.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -115.67 49.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.517 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -77.87 109.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -102.28 -65.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 112' ' ' VAL . 71.4 m-20 -87.88 108.99 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.0 tpt -59.74 -57.4 13.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.75 -51.29 61.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -48.97 -49.05 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 108' ' ' ASP . 76.3 t -50.08 -56.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 100' ' ' ILE . 82.7 m95 -57.32 -39.96 76.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -59.89 -53.05 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -64.53 -36.63 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.05 120.78 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -84.09 155.06 64.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 -17.68 25.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -114.86 -6.84 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 15.3 mt -86.57 119.6 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -89.64 156.88 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -146.09 162.42 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.9 t -134.91 121.54 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -84.15 107.58 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.638 ' C ' HD23 ' A' ' 126' ' ' LEU . 5.9 tt -128.57 133.83 48.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.447 ' N ' HD23 ' A' ' 126' ' ' LEU . 21.1 ptt180 -102.87 136.56 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.01 115.73 26.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 51.2 t -95.35 132.22 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.2 m-85 -101.53 107.38 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -110.82 151.63 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.543 0.687 . . . . 0.0 110.859 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.775 0.321 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 101' ' ' PHE . 11.4 tp -80.18 -20.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -115.42 114.26 24.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m -89.37 143.94 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 17' ' ' LEU . 4.8 mp -105.75 161.1 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.69 117.48 4.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.47 43.99 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.309 -0.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -36.18 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.6 m -67.06 -76.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 152.26 40.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.748 ' H ' HD21 ' A' ' 126' ' ' LEU . 43.2 tp -96.27 106.28 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.58 155.43 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 35.3 m-85 -128.89 121.48 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -80.74 122.4 27.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.58 -162.46 11.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.83 24.19 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.342 0.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 19.6 m-85 -103.67 14.76 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -76.68 -22.65 53.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -130.63 177.38 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 82' ' ' PRO . 78.3 t -69.63 121.0 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.62 139.55 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -111.59 112.2 23.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 5.5 m -106.81 140.08 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.22 120.47 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.17 108.71 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.33 141.74 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 26.6 mt -131.87 104.97 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 40.5 tt0 -89.15 149.76 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.58 98.9 33.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.94 37.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.466 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 88.9 p -72.52 -176.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -126.35 15.85 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.3 ptp180 -137.58 149.27 46.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -50.37 144.55 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 45' ' ' ARG . 77.6 t -142.33 121.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.0 m -74.03 135.64 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.57 129.77 31.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 17.4 mttm -115.68 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.26 109.3 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -131.27 126.71 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -129.81 149.53 51.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -53.03 -20.41 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.58 79.89 1.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.571 0.7 . . . . 0.0 111.052 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -35.01 13.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -88.31 -54.01 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.796 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 62.6 mtt85 -51.56 -39.1 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 4.5 m-85 -110.99 143.77 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.26 102.98 7.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 63' ' ' PRO . 56.2 t -91.42 125.76 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -145.23 116.13 5.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.643 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.9 Cg_endo -69.77 162.24 84.55 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.368 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m120 -90.17 -16.36 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -170.57 156.04 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.66 -149.14 11.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.9 mt -133.68 140.33 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG23 HG23 ' A' ' 74' ' ' VAL . 65.8 mt -103.96 116.85 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.53 147.95 2.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.25 33.28 20.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.6 m -141.57 157.06 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -108.11 130.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.423 HG23 HG23 ' A' ' 68' ' ' ILE . 54.4 t -112.1 132.55 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 m -103.15 120.98 41.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.25 137.6 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -90.37 96.33 10.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.04 98.14 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -79.74 148.15 31.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -131.41 111.48 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.8 145.74 99.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 114.79 3.82 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -145.04 122.8 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.65 145.45 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.78 134.69 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -102.56 147.78 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 p -150.96 128.72 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.575 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 3.1 tt -150.18 144.85 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 14' ' ' ILE . 96.5 m-85 -57.63 152.32 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.3 136.09 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.21 22.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -29.3 24.16 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -117.75 65.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.584 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -92.42 98.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -89.33 -54.39 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.9 m-20 -110.82 117.3 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 45.2 mtp -66.42 -46.42 76.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.32 -38.39 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.97 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG21 HD12 ' A' ' 106' ' ' ILE . 59.5 t -52.39 -56.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 99.3 m95 -54.97 -37.56 66.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.97 -52.42 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.96 -33.86 76.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.34 135.34 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -95.61 153.23 39.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.84 -18.33 35.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -113.55 -18.32 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 100' ' ' ILE . 14.3 mt -74.38 127.37 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.03 123.16 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.39 165.43 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -136.45 123.19 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -84.4 116.86 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.748 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.8 tt -137.66 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.66 ' N ' HD23 ' A' ' 126' ' ' LEU . 42.5 ttp180 -110.97 131.05 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.5 m -74.41 117.43 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.39 117.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.4 m-85 -88.29 113.26 23.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -103.02 159.77 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.2 mtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tp -96.68 -25.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD12 ' CG2' ' A' ' 99' ' ' THR . 17.7 mt -97.64 129.19 44.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.9 t -94.85 104.6 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.94 152.89 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.572 ' O ' HD23 ' A' ' 37' ' ' LEU . 32.7 m-20 -143.22 117.99 6.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 137.82 46.05 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.34 0.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -35.58 12.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -70.23 -75.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.98 151.8 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.828 ' H ' HD21 ' A' ' 126' ' ' LEU . 41.8 tp -89.63 117.84 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -94.18 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 38.7 m-85 -114.43 124.76 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -84.19 122.63 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.61 -162.03 10.9 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -174.5 9.56 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.34 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 21.4 m-85 -110.63 2.5 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -74.37 -4.9 39.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.68 166.09 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG22 ' HD3' ' A' ' 82' ' ' PRO . 75.8 t -51.21 131.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 34' ' ' THR . 47.7 t -106.53 158.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 33' ' ' VAL . 19.7 m -133.64 119.98 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 93.1 m -129.63 120.6 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.03 130.84 37.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -110.05 112.06 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -82.16 136.86 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.88 103.95 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 15.1 tt0 -89.31 152.19 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 42.8 t30 -130.57 98.82 19.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.05 31.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 p -61.89 -177.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' C ' ' HB3' ' A' ' 70' ' ' PRO . 87.3 m-20 -123.75 14.16 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 3.6 ptp180 -135.85 152.89 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.11 150.08 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 100' ' ' ILE . 59.9 t -147.35 133.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 8.9 m -88.25 149.1 24.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -145.36 141.89 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 113' ' ' TRP . 29.1 mtmt -130.7 119.17 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.9 107.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -115.64 128.18 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 t -139.34 160.37 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.9 p -73.19 -2.56 22.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -118.01 85.74 24.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.07 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -94.65 -48.07 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.735 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 21.7 ttt180 -47.32 -39.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 80' ' ' LEU . 4.8 m-85 -107.42 145.75 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.45 91.69 3.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' A' ' 78' ' ' VAL . 6.6 m -98.74 133.36 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 77.4 mtt180 -154.38 122.25 2.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.653 0.739 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.2 Cg_endo -69.74 164.18 79.86 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.38 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -106.18 -7.13 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 p -169.74 146.99 3.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.42 17.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.1 mt -131.77 142.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.4 mt -110.7 117.09 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.51 152.83 11.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.71 126.12 12.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.88 22.39 69.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -127.85 172.76 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.72 135.02 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -111.51 137.91 42.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -108.01 107.32 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.81 150.51 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.0 m -102.76 96.19 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 61' ' ' VAL . 8.2 t -95.9 96.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.4 mtm -93.02 135.32 34.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -114.84 109.93 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.33 156.71 20.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.71 118.7 5.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.63 116.95 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -117.33 144.89 44.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.91 123.97 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 33.0 tt0 -100.17 138.04 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 15' ' ' LEU . 76.2 p -142.32 140.45 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.5 tt -154.35 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -57.83 149.91 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -117.72 136.13 23.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 111.07 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.75 18.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.96 31.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ILE . 7.8 t-20 -96.8 -57.9 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.8 tt 34.44 52.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -43.41 -57.15 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.871 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.0 m-20 -113.07 129.07 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mtp -69.39 -52.84 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -54.24 -53.55 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -46.68 -44.72 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 108' ' ' ASP . 17.1 t -50.58 -54.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 98.4 m95 -56.77 -41.82 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -59.81 -54.32 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.84 -33.99 76.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 130.25 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -89.38 153.95 48.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.1 9.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -95.98 -20.83 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -106.59 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 11.7 mt -73.94 135.48 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.7 132.22 48.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 159.37 27.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -134.67 123.3 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.1 113.21 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.828 HD21 ' H ' ' A' ' 23' ' ' LEU . 7.1 tt -127.89 141.38 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.72 ' N ' HD23 ' A' ' 126' ' ' LEU . 45.9 ttp85 -111.79 126.06 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 28.1 m -76.18 122.53 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.3 t -102.61 115.99 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 7.2 m-85 -89.65 107.06 18.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.48 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.516 ' SD ' ' CD2' ' A' ' 29' ' ' PHE . 70.8 mmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.706 ' OE1' HD11 ' A' ' 17' ' ' LEU . 5.1 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 43' ' ' SER . 5.2 tp -46.69 -40.86 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 9.7 mt -84.11 149.11 26.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.4 t -109.41 105.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -77.82 151.63 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -139.54 118.24 8.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.77 137.28 43.03 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.3 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -77.64 -75.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 8.2 p-10 -143.96 152.11 40.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.74 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 24.7 tp -91.68 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -95.15 125.49 39.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.74 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 8.8 m-85 -102.84 140.34 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -104.51 115.97 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.59 -162.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.9 91.71 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.325 0.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -93.32 32.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.0 p -99.69 -23.03 15.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -130.4 175.61 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -56.38 123.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.7 135.47 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -117.55 116.19 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -119.21 145.63 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -76.5 136.5 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 14.8 mt -129.26 105.21 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -88.91 159.23 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 29.1 t-20 -134.93 98.93 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -28.79 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.779 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.5 p -61.58 163.12 7.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.08 27.75 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.8 ptp180 -151.07 147.86 27.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 67' ' ' ILE . 30.4 mtmt -50.81 149.41 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -143.82 116.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -72.13 136.45 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -131.27 141.13 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' CG ' ' CE2' ' A' ' 113' ' ' TRP . 16.6 mmtt -125.16 128.27 48.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.11 118.49 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -140.46 119.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -117.79 165.98 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.0 p -64.31 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.93 70.33 0.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.5 2.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -63.91 -20.84 66.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 8.0 ttt-85 -103.11 -16.13 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 80' ' ' LEU . 6.4 m-85 -110.12 135.38 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -124.72 91.53 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.484 HG12 HG13 ' A' ' 78' ' ' VAL . 6.1 m -91.09 131.28 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.8 ttp85 -143.76 120.86 6.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.76 157.83 91.64 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -98.28 -4.14 35.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 p -169.97 153.83 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.08 -168.92 39.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.534 HG21 ' HD2' ' A' ' 46' ' ' LYS . 13.2 mt -121.62 144.11 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 74' ' ' VAL . 93.7 mt -110.17 105.63 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.21 150.72 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.78 112.61 3.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 39.55 6.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -144.1 -179.35 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.3 mt -134.67 134.36 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -111.61 137.83 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -108.82 102.76 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.01 137.37 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -88.38 113.29 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 61' ' ' VAL . 34.6 t -100.69 119.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 15.3 mtt -102.05 136.6 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -133.41 112.11 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.623 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.64 142.81 96.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 143.84 52.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.824 0.345 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -131.53 114.36 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.79 151.94 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.81 130.18 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -99.72 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -143.38 141.48 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.606 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.4 tt -159.77 142.68 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.86 147.95 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.15 139.34 22.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.32 24.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -20.02 35.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -113.8 15.2 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.0 tp -37.79 112.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -125.85 -73.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 112' ' ' VAL . 29.9 m-20 -87.3 107.82 18.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.6 mtp -57.6 -44.25 85.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 114' ' ' LYS . 8.4 pt-20 -57.88 -55.61 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.17 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.656 HG21 ' CD1' ' A' ' 106' ' ' ILE . 54.5 t -57.44 -57.06 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CE2' ' CG ' ' A' ' 50' ' ' LYS . 86.4 m95 -52.26 -43.87 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 110' ' ' GLU . 4.1 mptt -61.18 -47.66 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.92 -31.56 72.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.43 132.56 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -93.14 153.11 41.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.57 18.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.47 -25.04 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -107.56 -24.55 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.606 HD23 ' HB ' ' A' ' 100' ' ' ILE . 18.9 mt -68.48 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.8 mtm -102.89 142.05 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.59 163.51 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.6 t -135.45 129.99 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -87.81 118.43 27.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.61 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.2 tt -128.12 129.59 46.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.487 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.4 ttm180 -97.94 123.42 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.06 117.49 20.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.62 118.65 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.31 105.63 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.54 158.61 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.923 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tp -106.8 14.93 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 ' HD2' ' A' ' 42' ' ' PRO . 47.3 mt -131.39 163.64 27.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.6 t -120.24 106.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.98 147.56 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.4 t70 -140.65 119.2 8.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 54.3 Cg_endo -69.71 136.75 40.26 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.344 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -32.04 19.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -73.66 -74.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -143.86 148.96 36.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' H ' HD21 ' A' ' 126' ' ' LEU . 24.4 tp -92.83 117.63 30.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -93.09 148.32 22.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -122.28 127.22 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -92.14 118.93 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.26 -158.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 177.0 30.24 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.301 0.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 28.7 m-85 -101.9 15.09 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -83.2 -41.39 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -116.29 -179.53 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.67 130.55 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.3 151.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -123.12 128.54 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -131.56 124.34 29.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -92.18 120.41 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -105.87 110.7 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -78.03 145.2 36.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.8 mt -143.06 105.65 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.64 161.87 19.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 56.7 t-20 -128.58 98.85 24.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.77 -40.47 5.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.38 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -60.35 156.95 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.54 36.8 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.7 ptp180 -156.6 140.18 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 79.8 mttt -42.31 133.15 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.4 t -126.65 127.73 70.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 72.3 m -79.8 159.2 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.53 135.76 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 14.0 mmtt -121.65 114.05 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 61' ' ' VAL . 2.7 t -83.13 112.57 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -142.95 129.94 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -134.29 167.1 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.6 p -58.51 -23.08 57.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.957 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.38 80.17 1.1 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.1 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -88.4 -43.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.957 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 36.1 mtt85 -62.91 -45.52 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -101.41 128.02 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.71 99.65 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.799 HG22 HG13 ' A' ' 78' ' ' VAL . 67.7 t -94.92 138.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 8.8 ttt180 -149.88 122.46 4.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.72 143.75 74.66 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.357 -0.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.32 -11.83 60.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -174.16 159.54 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.04 -157.44 27.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 109' ' ' MET . 16.6 mt -128.25 132.27 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.723 HG23 HG23 ' A' ' 74' ' ' VAL . 36.0 mt -101.32 120.36 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -48.87 155.9 0.98 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.76 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.7 39.8 85.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -136.16 178.09 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.41 134.73 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.723 HG23 HG23 ' A' ' 68' ' ' ILE . 22.2 t -116.7 142.23 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -110.35 105.14 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' CG1' ' CG1' ' A' ' 61' ' ' VAL . 84.6 t -89.88 141.97 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.8 m -95.36 111.65 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -110.07 102.9 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.6 mtm -88.48 148.31 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -133.47 112.44 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.5 ' N ' ' OE1' ' A' ' 81' ' ' GLN . 2.0 mp0 -63.02 146.83 95.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.75 135.33 30.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -111.89 123.81 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -120.22 148.45 43.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -134.43 135.22 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -105.47 140.65 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.8 p -140.49 134.45 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.533 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.3 tt -151.39 139.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -45.9 162.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -119.44 127.05 26.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 155.32 65.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.15 54.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 112' ' ' VAL . 1.6 tt -83.47 132.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.1 m -125.42 -66.24 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.53 92.77 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 67' ' ' ILE . 11.3 tpt -45.21 -33.79 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.7 pp20? -64.53 -55.53 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.475 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -49.88 -51.14 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 106' ' ' ILE . 26.6 t -42.11 -59.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.54 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 88.5 m95 -53.24 -42.21 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -60.51 -56.44 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.67 -37.5 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.55 131.83 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -96.08 154.88 38.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.79 33.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.36 -28.97 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.94 -21.64 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.533 HD23 ' HB ' ' A' ' 100' ' ' ILE . 12.1 mt -71.1 126.38 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.77 144.5 25.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -131.3 167.6 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.4 p -143.88 136.78 27.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -98.52 107.7 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.6 tt -121.22 142.74 49.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.758 ' N ' HD23 ' A' ' 126' ' ' LEU . 2.4 ptp85 -109.41 127.55 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.25 122.68 32.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.01 123.35 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -87.36 105.62 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.93 159.16 15.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mmm . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.89 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tp -83.6 -28.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 99' ' ' THR . 14.2 mt -92.3 135.13 34.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.11 104.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.15 155.42 40.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 1.7 m-20 -143.94 117.75 5.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.843 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.76 138.49 49.38 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.351 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.63 12.27 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -144.02 152.63 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.775 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.4 tp -91.89 109.52 20.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -88.96 140.8 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 23' ' ' LEU . 10.3 m-85 -113.17 122.11 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.38 116.44 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.86 -162.56 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.95 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.336 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 57.0 m-85 -98.47 22.5 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -76.76 -12.28 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 3.1 t70 -150.18 -176.73 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.76 118.84 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -99.05 122.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -98.54 110.31 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.1 m -104.19 134.79 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -93.44 122.32 35.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.5 111.75 24.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -88.04 131.12 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.09 104.62 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.04 154.47 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -133.62 98.86 14.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.36 9.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -54.27 173.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.11 36.68 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 18.9 ptp180 -154.52 150.53 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.99 140.48 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG13 ' C ' ' A' ' 100' ' ' ILE . 42.6 t -135.12 132.45 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 29.5 m -87.1 132.79 33.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -129.22 146.78 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 40.0 mttt -128.93 129.14 45.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -93.44 130.06 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -144.26 126.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 55' ' ' ALA . 10.5 t -138.67 149.23 44.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 p -58.85 -11.33 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -105.28 90.53 3.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 53.4 Cg_endo -69.86 -46.71 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -96.45 -47.8 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 27.1 mtm180 -52.41 -34.32 47.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 5.4 m-85 -115.9 125.21 52.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -117.57 109.73 17.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 78' ' ' VAL . 60.2 t -109.36 125.37 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 29.5 mtp180 -142.69 123.39 8.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.82 159.35 90.0 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.345 0.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -88.48 -9.9 50.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.8 p -170.9 150.77 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.34 -168.81 40.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.61 139.82 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.91 128.74 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.97 150.63 94.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.78 120.5 7.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 30.51 44.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.1 m -137.63 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -131.69 136.16 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.99 132.4 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 m -104.45 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -89.52 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -97.9 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 61' ' ' VAL . 86.6 t -110.69 92.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -80.77 150.47 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 81' ' ' GLN . 4.9 tt -132.19 121.31 23.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD23 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -64.11 143.01 98.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 52.8 Cg_endo -69.79 127.37 14.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -129.41 128.23 42.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.4 mtm -129.08 144.24 51.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.9 t -132.52 129.98 59.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -99.38 149.84 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 15' ' ' LEU . 23.5 p -152.6 136.53 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 4.0 tt -159.76 132.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 90.1 m-85 -46.16 141.79 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.49 136.8 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.73 59.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.31 33.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -102.93 7.55 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -41.16 126.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 m -130.54 -53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.78 115.59 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.7 mmm -55.85 -56.13 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -53.12 -31.43 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.18 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.56 -56.9 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.532 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -57.87 -37.96 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -62.69 -55.88 22.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -61.21 -38.28 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.46 132.01 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -90.78 154.09 45.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.17 -18.89 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -113.11 -21.25 11.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.07 132.01 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -95.23 150.37 20.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -134.63 158.37 44.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.4 m -135.44 118.52 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -88.05 112.45 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.3 tt -119.94 142.12 49.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.779 ' N ' HD23 ' A' ' 126' ' ' LEU . 10.8 tpp180 -110.51 113.0 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 m -77.09 130.24 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.3 t -115.74 145.04 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -104.34 106.51 17.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.3 164.38 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.8 mtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 43' ' ' SER . 10.1 tp -115.18 -23.94 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' ' 68' ' ' ILE . 80.3 mt -96.34 126.3 41.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.11 98.6 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.5 mp -64.86 160.25 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 13.9 t70 -157.02 119.06 2.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.79 136.57 39.53 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.339 0.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -69.35 -75.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -143.79 151.52 40.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' HD21 ' A' ' 126' ' ' LEU . 25.0 tp -94.43 102.81 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -75.94 152.18 37.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.39 105.14 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -76.52 126.52 31.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.56 -158.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HB2' HG22 ' A' ' 30' ' ' THR . 54.0 Cg_endo -69.75 161.92 85.17 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 0.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -92.36 4.55 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' PRO . 3.3 t -101.81 3.9 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.95 172.03 13.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.17 125.08 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -101.28 151.73 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -132.74 111.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 23' ' ' LEU . 10.7 m -111.46 128.96 56.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -94.92 120.54 35.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.35 107.89 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -80.06 140.44 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 32.5 mt -135.21 104.97 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.44 144.45 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -119.58 98.79 49.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.43 9.18 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 24.3 p -59.77 174.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.87 25.62 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 6.1 ptp180 -141.45 146.88 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' HG21 ' A' ' 67' ' ' ILE . 36.1 mtmt -53.86 143.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.61 118.5 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.9 m -77.97 135.31 37.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -131.98 152.86 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 20.0 mtpt -131.36 128.61 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 61' ' ' VAL . 2.6 t -97.07 117.25 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 137.52 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.2 155.3 46.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -108.36 88.8 5.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.709 . . . . 0.0 111.12 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -51.85 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 ttp180 -53.84 -45.19 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -105.18 132.05 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -123.67 112.36 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 51' ' ' VAL . 60.1 t -102.15 125.45 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 38.6 ttm180 -144.09 121.08 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.73 150.61 90.35 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.362 -0.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -72.41 -12.32 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.3 p -173.54 175.02 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.36 -160.36 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 46' ' ' LYS . 50.0 mt -127.75 137.38 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 15' ' ' LEU . 67.3 mt -100.77 120.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.06 148.26 14.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.76 108.83 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.32 33.18 9.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -137.78 -177.31 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.8 mt -134.28 133.2 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.6 136.87 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -109.03 111.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 77' ' ' SER . 69.3 t -92.19 152.99 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 76' ' ' VAL . 65.8 m -105.61 109.62 21.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.6 96.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.7 mtm -81.72 128.92 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 59' ' ' TYR . 1.6 tm? -118.94 113.1 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.98 143.3 97.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 128.25 15.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.3 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.8 t80 -114.69 141.03 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.02 124.35 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -120.36 123.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -99.01 150.55 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.442 ' CG2' HD12 ' A' ' 15' ' ' LEU . 57.3 p -149.8 136.79 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -156.29 140.15 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.58 148.66 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.72 136.08 19.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 157.37 60.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.03 43.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 106' ' ' ILE . 1.4 tt -68.76 119.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 -44.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.11 122.63 38.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.11 -51.76 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 111' ' ' ALA . 14.2 pt-20 -53.58 -47.11 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . -51.02 -43.46 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.41 -56.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 60.0 m95 -58.67 -27.07 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -73.97 -58.35 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.73 129.16 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -93.01 153.12 41.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.87 22.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.614 2.209 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.93 -13.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -113.47 -13.5 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 mt -78.74 138.15 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 122' ' ' MET . 3.6 mpp? -104.49 134.41 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -119.44 164.69 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.1 p -142.12 128.42 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -86.65 122.41 30.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -138.86 136.0 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.609 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -107.21 137.17 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.1 m -97.99 115.71 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.59 136.65 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -101.56 114.76 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.57 143.62 29.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.715 . . . . 0.0 110.872 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -80.44 -28.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.9 mt -86.18 132.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.1 99.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.2 mp -74.18 149.28 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.584 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.9 t0 -142.46 118.92 6.95 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.79 136.99 41.61 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.37 0.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -31.01 21.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.8 -74.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 17.4 p30 -143.94 150.86 39.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 35' ' ' THR . 68.5 tp -88.95 101.74 14.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -81.25 134.31 35.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -107.83 124.18 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -89.0 117.64 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.7 -162.3 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.33 71.34 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.333 0.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 24.7 m-85 -100.54 10.96 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -79.69 12.13 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -166.43 175.06 8.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.77 118.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.0 t -96.44 131.08 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -107.44 109.06 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.533 ' CG2' HD11 ' A' ' 23' ' ' LEU . 28.4 m -116.01 125.51 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 24.9 p30 -95.94 139.66 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.1 tt -115.11 113.12 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -81.06 132.92 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 36.7 mt -127.4 104.27 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.94 145.74 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 52.2 t-20 -120.88 98.84 47.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.23 4.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.7 p -53.15 152.91 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -94.5 29.41 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.5 ptm180 -151.02 155.57 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.72 160.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.1 t -154.57 120.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.2 m -78.54 147.08 33.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE1' HG13 ' A' ' 68' ' ' ILE . 24.9 p90 -149.66 140.24 22.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HE3' ' CD2' ' A' ' 113' ' ' TRP . 3.4 mtmp? -122.46 125.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.35 113.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -140.22 127.76 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -126.33 162.23 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -77.38 -11.13 59.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.26 58.72 3.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.562 0.696 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.53 37.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.203 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -21.63 33.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -119.9 21.96 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -144.87 133.17 21.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 m -127.19 94.11 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.776 HG12 HG22 ' A' ' 78' ' ' VAL . 5.1 m -95.09 131.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.0 mtp180 -148.02 121.58 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.8 Cg_endo -69.74 168.34 67.77 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.339 -0.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.78 -0.52 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.4 p -171.65 145.98 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.73 36.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt -126.73 138.38 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.61 HG23 HG23 ' A' ' 74' ' ' VAL . 68.9 mt -101.58 110.66 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.39 148.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.457 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.82 128.34 15.84 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.83 26.91 65.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -135.35 169.5 17.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.23 147.06 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 HG23 ' A' ' 68' ' ' ILE . 22.7 t -124.47 141.6 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 6.6 m -117.38 103.17 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.03 143.01 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.7 m -90.37 101.3 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 HG12 ' A' ' 61' ' ' VAL . 36.6 t -99.84 103.98 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -91.24 135.66 33.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -122.82 113.62 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.494 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.2 mp0 -61.71 142.78 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 125.38 12.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.3 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.6 t80 -118.01 137.26 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.98 119.76 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.0 126.71 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -104.18 151.64 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.748 ' CG2' HD12 ' A' ' 15' ' ' LEU . 41.5 p -151.29 144.92 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.669 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 tt -156.59 144.1 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -63.15 134.27 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.35 137.26 22.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.19 25.21 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.05 27.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 106' ' ' ILE . 4.9 p30 -96.01 -50.03 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.495 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.4 tt 33.64 51.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 t -40.7 -60.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.793 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.7 m-20 -112.06 143.8 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -49.54 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.21 -52.57 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.58 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 108' ' ' ASP . 24.9 t -56.27 -47.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CD2' ' HE3' ' A' ' 50' ' ' LYS . 75.1 m95 -66.76 -38.38 86.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.471 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -62.0 -54.28 43.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -62.34 -36.74 83.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.16 119.46 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -86.28 154.4 57.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -2.65 10.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -96.41 -25.66 15.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -103.84 -20.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.669 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.8 mt -69.21 133.9 48.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.7 mtm -107.18 122.92 47.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -112.63 171.77 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.8 t -144.04 123.35 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -86.28 119.48 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.2 tt -130.94 134.42 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.637 ' N ' HD23 ' A' ' 126' ' ' LEU . 16.4 ptt180 -106.92 133.71 51.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.17 139.65 30.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.806 HG12 ' OE1' ' A' ' 131' ' ' GLU . 3.1 t -118.49 146.41 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 32.9 m-85 -112.96 111.6 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.806 ' OE1' HG12 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -115.88 159.73 21.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.717 0.294 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.4 tp -105.21 14.93 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD12 ' CG2' ' A' ' 99' ' ' THR . 52.0 mt -132.18 131.18 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -92.54 98.57 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.88 150.97 45.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 9.9 t70 -144.44 118.89 5.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.7 137.26 42.8 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.338 -0.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.62 14.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 m -70.19 -75.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.4 p-10 -143.29 150.11 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.764 ' H ' HD21 ' A' ' 126' ' ' LEU . 35.8 tp -89.66 99.49 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 148.7 30.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.5 m-85 -120.44 125.93 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -85.59 116.77 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.53 -162.67 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.78 17.52 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.326 0.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CD2' ' CE ' ' A' ' 132' ' ' MET . 20.2 m-85 -107.32 10.6 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.8 p -71.11 -21.6 62.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.28 -179.6 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.91 129.89 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 34' ' ' THR . 92.0 t -98.74 155.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 33' ' ' VAL . 25.2 m -124.78 113.17 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -122.16 119.54 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -91.62 124.33 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.86 105.42 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -79.71 136.23 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -131.09 103.68 6.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -86.81 155.84 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -129.7 98.71 21.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -24.69 29.63 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -69.52 170.68 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.5 24.8 12.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.68 157.49 44.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.52 139.15 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.23 124.55 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 7.6 m -79.34 152.43 30.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -152.14 150.48 29.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 11.7 mtpt -134.47 119.88 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -81.27 128.24 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -149.88 119.71 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.531 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 9.1 t -119.7 162.17 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 p -52.61 -55.65 20.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -74.49 113.9 28.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.19 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' TYR . 32.8 mmt180 -94.96 -54.14 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.8 tpp85 -40.61 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CB ' HG21 ' A' ' 53' ' ' THR . 4.3 m-85 -123.6 126.59 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.53 109.82 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 51' ' ' VAL . 45.6 t -104.23 128.19 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.3 mtt-85 -148.29 124.19 5.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.72 146.26 81.61 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.39 -0.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.6 p-10 -79.69 -5.91 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -167.49 163.23 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -178.89 36.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.47 140.92 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.765 HG23 HG23 ' A' ' 74' ' ' VAL . 37.0 mt -104.58 112.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -46.4 151.39 1.0 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.02 4.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.09 53.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -128.41 -179.11 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.39 136.68 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.765 HG23 HG23 ' A' ' 68' ' ' ILE . 20.6 t -112.07 136.94 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -109.27 114.64 28.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.21 137.35 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -92.86 106.04 18.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -108.44 100.54 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 mtm -88.36 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 1.8 tt -117.58 114.18 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.41 142.84 81.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.1 t80 -146.15 127.2 14.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.7 mtm -131.53 152.26 50.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.05 147.97 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -110.23 146.51 35.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.493 ' CG2' HD12 ' A' ' 15' ' ' LEU . 60.7 p -145.84 141.01 27.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 tt -159.11 140.71 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.56 135.85 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.31 136.49 21.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.55 18.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ILE . 85.0 m-20 -109.68 -67.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.551 HG13 HG21 ' A' ' 112' ' ' VAL . 5.3 tt 37.6 44.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.4 m -54.74 -34.55 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -123.8 93.14 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.3 mtp -43.93 -42.53 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.38 -55.01 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.45 -49.19 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 106' ' ' ILE . 97.3 t -48.3 -54.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 79.8 m95 -53.96 -42.09 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -53.06 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.3 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.64 127.56 31.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -88.47 154.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -5.35 15.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.83 -17.89 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -111.36 -21.15 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.79 117.13 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.5 mtm -90.75 161.36 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.21 174.17 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.7 m -140.92 121.41 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -83.18 115.25 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.5 tt -133.92 155.13 50.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 1.034 ' N ' HD23 ' A' ' 126' ' ' LEU . 35.6 ttp180 -126.99 116.51 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.99 124.33 27.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.36 137.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -99.61 105.45 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.53 162.29 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.756 0.312 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.021 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -88.48 -31.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 HD12 ' A' ' 68' ' ' ILE . 73.9 mt -91.42 140.31 29.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.15 99.95 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 39' ' ' LEU . 1.9 mm? -66.65 134.03 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 37' ' ' LEU . 15.3 t70 -134.35 117.95 13.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.73 136.69 39.99 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.354 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' CA ' ' O ' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.74 -22.01 32.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -75.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 3.4 p-10 -141.78 144.72 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 35' ' ' THR . 44.3 tp -95.0 106.07 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -82.23 140.18 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.46 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 65.0 m-85 -112.7 126.63 55.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 114.29 22.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.81 -161.87 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 38.68 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.388 0.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 45.6 m-85 -102.68 3.66 37.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -70.77 -19.91 62.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -132.89 177.87 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.0 129.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 34' ' ' THR . 46.4 t -102.02 157.2 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.466 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.7 m -132.46 113.48 13.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.893 ' CG2' HD11 ' A' ' 23' ' ' LEU . 3.9 m -123.2 121.85 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 3.8 p30 -94.36 134.46 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.7 tt -118.21 115.46 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -84.66 142.84 29.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 17' ' ' LEU . 58.1 mt -136.6 106.38 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -85.12 151.89 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 64.5 t30 -129.41 102.53 18.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 54.1 Cg_endo -69.74 -32.94 17.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' HD11 ' A' ' 14' ' ' ILE . 88.0 p -61.31 162.17 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.46 23.17 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.0 ptm180 -138.62 151.34 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.65 152.11 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 14' ' ' ILE . 17.5 t -140.84 131.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 109' ' ' MET . 25.2 m -88.05 131.48 34.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.9 p90 -133.64 153.82 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -137.79 116.33 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.1 130.71 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -159.4 134.68 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' ALA . 7.2 t -135.3 150.05 49.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.8 p -40.58 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -106.41 87.87 2.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -35.06 13.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -94.89 -44.11 7.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.793 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.2 ttm180 -56.7 -30.94 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -115.42 136.8 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.9 t -121.46 91.86 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 78' ' ' VAL . 3.0 m -91.46 134.11 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 60.5 ttt180 -151.59 123.07 3.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.1 Cg_endo -69.73 155.28 93.25 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -90.58 -0.6 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -173.04 154.82 2.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 164.86 -178.47 39.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.6 mt -109.01 137.1 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.838 HD12 HD13 ' A' ' 15' ' ' LEU . 6.6 mt -99.43 109.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.8 151.19 1.65 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.9 Cg_endo -69.73 126.0 12.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.398 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.15 42.12 68.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m -145.2 162.13 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.08 129.51 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.536 HG21 HG12 ' A' ' 68' ' ' ILE . 57.8 t -111.59 136.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 3.4 m -112.44 114.94 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -95.8 134.82 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -80.64 96.52 6.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 61' ' ' VAL . 10.4 t -96.19 93.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -86.3 149.5 25.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.592 HD21 ' HE2' ' A' ' 83' ' ' PHE . 2.4 tt -124.6 116.36 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.76 142.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 138.01 36.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HE2' HD21 ' A' ' 80' ' ' LEU . 11.7 p90 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.851 0.357 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -138.46 117.21 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 12.5 mtm -120.99 125.24 46.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 136.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -100.73 141.33 33.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.2 p -144.17 140.3 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.574 HG22 ' CH2' ' A' ' 113' ' ' TRP . 5.7 tt -153.45 147.01 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 18.1 m-85 -65.32 141.26 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.63 28.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 159.15 54.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.82 29.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -124.96 18.32 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -39.59 127.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -119.39 -61.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -124.09 119.51 29.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 48' ' ' CYS . 3.5 mtt -46.54 -52.91 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.98 -38.92 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.76 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.94 -57.43 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.574 ' CH2' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -59.21 -37.83 78.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -63.04 -50.18 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.64 -32.72 71.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.55 136.21 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -88.82 152.63 49.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.2 30.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.42 -20.68 18.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -100.76 -21.71 15.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.93 132.76 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 57.9 mtm -102.74 156.78 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.27 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -138.87 122.17 17.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.75 112.09 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.5 tt -134.57 125.93 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.658 ' N ' HD23 ' A' ' 126' ' ' LEU . 29.5 ttm180 -98.33 130.39 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 48.2 m -87.72 134.4 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.5 t -117.82 129.76 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 43.8 m-85 -87.95 109.24 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -111.15 162.19 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.52 0.676 . . . . 0.0 110.928 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tp -66.92 -37.92 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -90.76 131.33 36.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.6 t -90.77 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.05 156.67 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 19.9 m-20 -148.79 118.4 4.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.72 40.26 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -34.29 14.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -71.83 -75.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.11 151.83 40.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HE1' ' A' ' 25' ' ' PHE . 31.0 tp -95.62 101.39 13.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -85.9 138.5 31.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.434 ' HE1' HD23 ' A' ' 23' ' ' LEU . 15.8 m-85 -111.44 129.7 55.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -90.96 119.31 31.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.94 -161.13 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.93 88.92 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.349 0.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 66.9 m-85 -93.24 12.75 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -79.93 12.08 2.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -167.12 170.25 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 81' ' ' GLN . 67.8 t -55.5 121.68 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.27 142.64 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -115.06 129.42 56.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.8 m -130.36 123.03 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 122.62 33.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -104.72 108.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -79.74 129.01 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -120.97 103.69 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 73' ' ' ILE . 9.8 tt0 -85.93 137.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -117.03 98.86 52.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -34.97 13.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -58.02 159.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -106.85 42.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 146.44 15.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -47.36 140.5 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 101' ' ' PHE . 29.5 t -140.82 122.74 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 67.8 m -79.72 157.05 27.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -156.53 136.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 12.1 mtmt -119.68 123.22 43.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 61' ' ' VAL . 1.9 t -86.82 106.07 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -129.0 129.45 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 55' ' ' ALA . 14.4 t -141.2 163.64 32.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.418 ' H ' HG23 ' A' ' 54' ' ' THR . 2.2 p -66.88 -5.63 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.614 ' H ' HG23 ' A' ' 53' ' ' THR . . . -109.8 83.16 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.698 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -95.92 -46.31 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 48.0 mtt85 -54.26 -37.94 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -112.4 131.52 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.1 t -122.54 92.04 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 51' ' ' VAL . 38.3 t -87.12 130.87 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 2.4 mmt180 -147.01 121.84 5.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.5 Cg_endo -69.78 152.61 92.51 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.367 0.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -84.95 -4.28 59.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -172.08 172.83 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.81 -169.13 31.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -122.04 140.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.4 HD12 HD13 ' A' ' 15' ' ' LEU . 84.1 mt -102.04 117.02 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.2 153.66 1.62 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 111.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.52 38.61 12.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 m -139.75 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.537 HD11 ' NE2' ' A' ' 40' ' ' GLN . 85.4 mt -121.53 135.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.34 136.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -107.34 104.13 13.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.6 t -87.51 136.94 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -96.6 107.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.16 94.18 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -79.64 98.05 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -88.39 116.02 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.659 ' OE1' HG22 ' A' ' 32' ' ' VAL . 22.3 mm-40 -65.56 157.18 79.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HD2' ' OE1' ' A' ' 81' ' ' GLN . 53.7 Cg_endo -69.76 150.09 67.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.1 p90 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -145.52 117.25 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 20.5 mtm -121.78 138.01 54.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.95 129.42 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -99.71 147.32 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.3 p -150.31 144.89 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 tt -159.33 137.83 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.647 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.8 m-85 -48.54 148.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -111.88 133.34 21.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 159.38 53.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.12 3.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -86.93 14.48 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 112' ' ' VAL . 2.8 tt -39.28 103.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 t -91.05 -70.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.73 126.52 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -16.46 63.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -91.24 -29.19 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.97 85.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 106' ' ' ILE . 94.9 t -52.84 -46.23 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.514 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.5 m95 -68.19 -37.67 81.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -64.01 -59.22 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -58.65 -39.66 81.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.3 135.2 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -96.13 155.33 38.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -2.72 10.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.59 -11.67 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.74 -10.21 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.59 131.89 39.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -104.39 121.65 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 124' ' ' SER . 8.5 t70 -119.1 166.07 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 3.6 m -141.93 147.26 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -100.46 112.49 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.4 tt -127.8 129.36 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.456 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.4 ptm180 -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.56 117.78 20.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.04 145.1 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 8.8 m-85 -111.85 114.15 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.44 162.53 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 80.1 mmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.851 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 4.5 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.524 HD11 ' HB3' ' A' ' 43' ' ' SER . 9.0 tp -79.97 -34.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 99' ' ' THR . 12.5 mt -95.99 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 40' ' ' GLN . 2.4 p -83.43 111.08 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 mp -71.28 167.28 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -153.13 117.33 2.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.29 38.01 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.36 -0.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -35.0 13.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 m -68.37 -76.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.46 155.4 43.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' H ' HD21 ' A' ' 126' ' ' LEU . 40.3 tp -98.44 111.7 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -88.25 139.03 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.531 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 37.0 m-85 -112.61 114.56 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -81.06 120.98 25.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.01 -160.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 161.42 86.26 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.34 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 38.1 m-85 -95.33 33.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.4 p -103.44 -34.65 8.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -120.03 177.75 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.58 124.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.81 138.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.7 m -109.97 113.22 25.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.531 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 85.8 m -116.72 119.95 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 1.6 m-20 -94.16 121.87 36.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.76 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -84.07 129.68 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 53.9 mt -120.74 103.55 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.601 ' HB3' HG13 ' A' ' 16' ' ' VAL . 42.8 tt0 -86.85 154.79 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -134.43 98.69 13.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 -15.81 37.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' ' 14' ' ' ILE . 53.2 p -75.93 172.99 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.95 32.5 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 17.1 ptp180 -153.19 141.6 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -40.71 153.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 15' ' ' LEU . 62.6 t -145.94 130.04 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 80.6 m -88.66 126.24 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -128.19 132.49 48.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 22.1 mtmt -120.39 114.84 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 61' ' ' VAL . 20.1 t -77.43 106.09 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -109.99 118.68 37.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -141.13 141.09 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -83.94 23.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.97 63.23 55.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -73.4 -35.39 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -83.35 -56.25 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 5.5 m-85 -97.89 141.45 30.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 m -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 51' ' ' VAL . 65.2 t -88.97 129.47 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 7.4 tpt180 -152.06 121.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 156.22 92.96 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.323 0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -67.97 -25.86 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 p -171.87 174.26 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.27 -157.22 29.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.4 mt -122.63 142.07 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -106.01 124.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.97 151.53 55.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.18 10.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.93 33.74 65.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.6 m -137.85 170.97 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.5 133.75 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.03 134.97 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.9 m -107.02 104.55 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.67 151.13 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -98.76 98.85 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.4 95.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.03 153.45 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 81' ' ' GLN . 5.3 tt -134.77 122.71 22.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.501 ' O ' HD23 ' A' ' 80' ' ' LEU . 4.8 mp0 -66.24 142.08 97.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.87 24.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.16 113.75 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.0 146.28 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -139.8 121.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.6 138.93 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 15' ' ' LEU . 36.9 p -137.94 140.43 40.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 tt -151.36 137.4 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 14' ' ' ILE . 44.8 m-85 -50.55 143.65 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.87 145.18 31.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.77 19.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -103.69 28.34 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -45.86 126.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -115.96 -61.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.0 t0 -105.65 113.01 26.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.59 -55.83 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 10.0 pt-20 -51.92 -51.4 57.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 108' ' ' ASP . . . -49.49 -45.94 47.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 108' ' ' ASP . 92.2 t -52.54 -60.03 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 87.6 m95 -50.03 -44.19 51.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.2 -58.51 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -55.6 -37.08 67.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.03 133.2 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.34 155.5 38.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.54 -19.65 27.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -109.07 -26.47 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.64 133.66 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.0 ptp -127.63 132.02 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.94 167.38 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 121.45 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.96 106.83 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -119.84 131.46 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.523 ' N ' HD23 ' A' ' 126' ' ' LEU . 24.7 ttm180 -105.81 120.75 42.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.2 m -78.72 132.12 36.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.77 127.93 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 46.9 m-85 -90.27 112.49 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.544 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 25.4 mt-10 -100.97 148.08 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 ttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 110.84 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.722 0.296 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 15' ' ' LEU . 5.8 tp -84.35 -43.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 mt -83.74 125.17 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.5 t -86.41 101.84 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD23 ' A' ' 39' ' ' LEU . 5.8 mp -68.68 165.73 18.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 29.5 m-20 -153.9 117.69 2.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.68 39.89 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.355 -0.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -31.97 19.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.722 2.282 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -73.79 -75.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.0 p-10 -144.12 151.6 39.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.0 tp -99.15 108.35 20.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -86.84 141.5 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 23' ' ' LEU . 16.9 m-85 -111.53 122.71 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -85.45 112.64 21.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.09 -161.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.3 92.84 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.322 0.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 130' ' ' PHE . 27.1 m-85 -90.02 28.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.5 p -96.34 -36.55 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.97 174.64 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.79 121.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.53 149.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -122.51 110.07 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 23' ' ' LEU . 93.8 m -116.28 121.79 43.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 11.6 m-20 -91.96 121.4 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.05 114.36 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 18' ' ' ASP . 27.9 mttt -81.74 147.03 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 17' ' ' LEU . 13.4 mt -141.04 105.9 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.64 153.93 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 50.2 t-20 -124.47 98.72 37.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.703 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.6 Cg_endo -69.78 -21.54 33.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.7 p -81.22 156.95 25.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -100.04 35.54 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 47' ' ' VAL . 17.0 ptp180 -152.65 130.46 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HD3' HG21 ' A' ' 67' ' ' ILE . 47.9 mttt -36.67 147.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 45' ' ' ARG . 93.8 t -143.51 122.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -76.15 135.9 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -133.07 131.25 40.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 10.6 mmtt -114.04 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG21 ' A' ' 61' ' ' VAL . 30.7 t -87.23 123.87 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -142.84 133.1 24.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.6 t -136.3 149.78 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 49.2 p -53.26 -28.5 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.7 73.46 1.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.93 33.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -95.74 -26.5 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 58' ' ' ARG . 22.6 ttm105 -107.28 36.1 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.756 ' CE1' HD23 ' A' ' 80' ' ' LEU . 5.6 m-85 -153.2 139.38 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.96 101.42 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 51' ' ' VAL . 99.2 t -104.2 132.37 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 41.3 ttt-85 -152.31 122.29 3.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.717 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.81 150.77 90.81 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.3 0.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.01 -28.59 70.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 p -172.58 156.34 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.6 -157.52 18.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.457 HG21 ' HD3' ' A' ' 46' ' ' LYS . 55.4 mt -124.07 143.63 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 74' ' ' VAL . 56.9 mt -108.96 112.33 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -48.11 152.18 1.54 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 122.65 9.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.21 39.03 24.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -146.72 169.06 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.1 mt -125.14 133.53 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.498 HG23 HG23 ' A' ' 68' ' ' ILE . 92.8 t -113.34 135.06 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 11.6 m -105.51 103.67 13.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.17 137.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 m -86.52 120.91 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.92 98.84 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -90.28 122.99 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.756 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -108.35 113.69 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.548 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.5 mp0 -59.38 141.05 87.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.19 64.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.39 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.4 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.11 121.14 44.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -118.61 103.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.7 t -97.41 132.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -98.76 146.65 25.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.8 p -148.55 129.24 14.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.2 tt -141.98 140.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 35.6 m-85 -58.14 139.13 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.56 139.33 20.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.551 0.691 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.88 58.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.377 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.13 26.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -104.96 19.27 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.5 tt -41.74 123.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -122.9 -69.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.672 ' HB2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 m-20 -87.89 92.72 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -48.31 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -54.25 -44.24 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.72 -53.33 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 50' ' ' LYS . 16.2 m95 -54.57 -41.9 70.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -64.04 -55.97 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -56.75 -39.01 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.71 123.29 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -86.81 155.29 55.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.22 29.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.31 -23.46 51.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -103.48 -26.8 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.58 123.0 18.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.3 mtm -98.39 148.98 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 175.71 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -139.03 134.09 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -93.91 106.85 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -122.88 135.76 54.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.61 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.5 ptp180 -103.12 132.44 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.02 131.21 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.6 t -114.29 114.22 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.467 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 17.7 m-85 -87.51 107.67 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -107.84 164.38 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.8 mtp . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.924 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.749 0.309 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 43' ' ' SER . 2.0 tp -81.05 -22.79 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD13 HD12 ' A' ' 68' ' ' ILE . 43.7 mt -94.99 177.13 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.45 113.63 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD13 HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.55 151.55 36.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.4 t0 -149.64 116.4 3.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.6 Cg_endo -69.75 137.43 43.79 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.332 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.85 15.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.7 m -72.04 -75.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -143.76 148.09 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 35' ' ' THR . 47.5 tp -92.26 103.27 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.93 139.18 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -116.22 116.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -81.71 121.92 26.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.08 -158.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.89 65.85 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.348 0.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 33.6 m-85 -99.68 11.61 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -97.06 -17.19 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 12.7 t0 -135.22 178.13 7.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.07 133.13 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 34' ' ' THR . 59.5 t -103.59 162.97 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.598 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.6 m -133.8 113.18 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 23' ' ' LEU . 17.7 m -126.83 121.02 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -94.09 129.53 40.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -112.39 114.48 27.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -87.4 147.82 25.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD21 HD13 ' A' ' 17' ' ' LEU . 10.7 mt -138.76 107.18 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.78 148.2 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 50.4 t30 -128.49 98.79 24.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.7 Cg_endo -69.75 -30.93 21.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.2 p -64.16 158.07 23.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -105.13 34.98 2.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.9 ptt180 -148.27 137.56 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -45.73 138.74 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 45' ' ' ARG . 87.0 t -133.73 125.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.34 147.42 27.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -148.21 141.27 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -122.15 111.31 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 HG11 ' A' ' 61' ' ' VAL . 15.3 t -77.32 105.9 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -128.24 127.19 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 55' ' ' ALA . 2.8 t -126.78 153.35 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.8 p -64.77 -20.46 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -112.12 73.34 1.28 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.83 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -80.5 -1.01 39.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.8 ttp180 -114.11 -15.91 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.31 132.45 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -112.25 95.31 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.74 HG22 HG13 ' A' ' 78' ' ' VAL . 83.6 t -97.9 132.72 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.1 ttt85 -152.43 121.92 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.72 161.15 86.65 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.36 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.27 -16.65 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 p -164.99 167.04 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.23 -166.09 35.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 26.1 mt -124.03 142.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.537 HD12 HD13 ' A' ' 15' ' ' LEU . 54.1 mt -103.13 118.11 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.41 147.86 2.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.75 107.24 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.8 36.66 6.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.0 m -146.35 168.49 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mt -119.59 134.2 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 68' ' ' ILE . 25.0 t -110.93 136.46 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -110.91 104.13 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 77' ' ' SER . 40.7 t -87.8 157.02 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' VAL . 64.8 m -103.69 122.95 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 61' ' ' VAL . 5.2 t -126.41 95.21 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 mtm -89.35 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tt -100.46 121.81 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.28 144.79 87.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.74 128.33 15.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.8 t80 -125.46 126.37 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.9 mtm -133.46 134.86 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 142.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.74 133.89 52.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.2 p -138.34 136.04 35.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.449 ' HA ' ' CE ' ' A' ' 122' ' ' MET . 2.3 tt -153.1 139.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HG12 ' A' ' 14' ' ' ILE . 57.3 m-85 -50.05 153.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.08 138.13 19.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 167.74 23.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.69 27.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' SER . 91.5 m-20 -107.78 13.7 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 106' ' ' ILE . 4.1 tp -37.2 94.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' ASN . 2.9 m -119.33 -49.29 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -102.49 96.66 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 58.6 mmm -50.48 -56.86 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.74 -46.02 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.83 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.56 -55.5 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.28 -33.44 67.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -65.65 -55.49 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.47 -37.66 88.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 130.75 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -93.89 153.78 40.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.33 15.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.08 -21.47 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -107.0 -27.73 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 128.56 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 100' ' ' ILE . 23.7 mtm -99.67 146.23 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.74 165.12 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -131.99 116.5 17.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.44 114.89 22.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.774 ' C ' HD23 ' A' ' 126' ' ' LEU . 2.4 tt -143.48 131.85 22.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.461 ' N ' HD23 ' A' ' 126' ' ' LEU . 22.3 ttm105 -104.07 137.64 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.7 m -83.53 135.77 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.55 121.03 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -87.55 113.56 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -105.81 147.45 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 13.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.727 0.298 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -99.61 -35.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 99' ' ' THR . 12.0 mt -95.18 124.09 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.4 m -89.13 143.17 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 17' ' ' LEU . 5.0 mp -108.75 163.74 13.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 24.5 t70 -148.34 117.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.81 40.69 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.315 0.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -33.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -68.23 -77.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -144.13 153.77 42.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 126' ' ' LEU . 27.4 tp -90.61 111.46 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' CD ' ' HB ' ' A' ' 129' ' ' VAL . 1.3 mmmm -89.76 140.17 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -117.52 129.76 56.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -89.78 109.42 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.22 -162.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 175.2 37.44 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 23.7 m-85 -103.05 15.01 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -87.93 -5.86 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -144.46 162.64 36.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.55 119.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.43 145.03 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 126.43 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -129.0 139.93 51.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -104.21 128.87 51.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.87 104.19 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -75.76 135.61 40.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.4 mt -127.96 103.83 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 36.5 tt0 -88.08 145.31 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 47.7 t-20 -115.74 98.87 51.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 -31.11 21.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -61.37 166.29 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -102.35 19.98 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -145.51 163.43 34.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 24.0 mtpt -62.89 148.44 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.458 ' HB ' HD11 ' A' ' 15' ' ' LEU . 47.8 t -140.47 121.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 85.3 m -75.08 125.76 29.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.7 p90 -117.35 136.01 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 23.6 mmtt -120.17 121.93 39.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 61' ' ' VAL . 6.4 t -97.61 112.84 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -148.88 127.19 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' ' 95' ' ' PHE . 4.0 t -119.98 168.48 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -77.0 -15.8 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.93 62.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.36 26.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.04 -18.87 64.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -124.44 23.74 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -146.4 123.98 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.5 m -123.53 92.17 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 51' ' ' VAL . 95.3 t -90.21 136.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.7 ttm180 -148.26 121.08 4.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.82 155.29 93.49 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.333 0.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -80.94 -19.92 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.57 161.81 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.48 -162.41 35.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 71.3 mt -115.5 144.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 49' ' ' PHE . 66.1 mt -112.19 114.18 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -48.7 151.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.67 21.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.626 2.218 . . . . 0.0 112.305 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.5 38.29 95.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -139.01 170.97 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -124.42 134.1 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 HG12 ' A' ' 68' ' ' ILE . 21.6 t -112.74 136.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -105.72 99.92 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.07 137.37 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -92.36 106.89 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 61' ' ' VAL . 48.3 t -99.57 94.55 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -77.7 126.94 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -115.86 113.02 22.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' N ' HD22 ' A' ' 80' ' ' LEU . 12.3 mm-40 -66.44 156.66 85.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.66 45.75 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 p90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' HZ ' HG21 ' A' ' 61' ' ' VAL . 4.8 t80 -133.39 115.92 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -102.9 132.5 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.7 t -122.84 126.43 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -102.97 138.95 39.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.495 HG21 ' HB2' ' A' ' 15' ' ' LEU . 53.3 p -140.36 137.11 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.46 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 4.3 tt -157.5 136.56 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -51.31 155.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 137.75 20.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.504 0.669 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.49 53.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -44.65 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.85 29.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 tt -54.29 112.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.6 m -111.33 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.4 m-20 -96.6 88.72 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -37.73 -53.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -53.57 -52.39 59.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.443 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -45.02 -50.17 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.45 -54.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CZ3' ' CG2' ' A' ' 100' ' ' ILE . 55.7 m95 -57.43 -41.25 80.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -60.27 -59.22 5.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.28 -36.94 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 133.66 6.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -91.33 151.2 42.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.75 29.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.331 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' C ' ' OE1' ' A' ' 120' ' ' GLU . 3.8 m-20 -98.53 -18.08 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -103.07 -18.3 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.83 125.95 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -91.96 129.41 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.43 157.86 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -138.86 127.57 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.2 116.25 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 126' ' ' LEU . 67.7 ttt180 -101.13 137.33 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.8 m -100.4 123.49 44.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.477 ' HB ' ' CD ' ' A' ' 24' ' ' LYS . 20.2 t -95.12 129.03 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -97.83 108.94 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 7.9 mt-10 -105.01 167.15 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 mtp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.695 . . . . 0.0 110.856 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 tp -79.73 -36.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 HD12 ' A' ' 68' ' ' ILE . 10.0 mt -85.7 120.19 26.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.33 104.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -70.08 163.1 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -147.02 117.12 4.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.554 0.692 . . . . 0.0 110.846 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 54.1 Cg_endo -69.75 136.97 41.38 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.24 29.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -83.48 -76.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -144.67 154.54 42.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.7 HD11 ' CG2' ' A' ' 35' ' ' THR . 57.6 tp -96.11 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -96.58 139.83 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 23' ' ' LEU . 69.7 m-85 -117.68 105.95 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -73.09 119.45 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.33 -160.39 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.19 86.62 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.341 0.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 34.2 m-85 -91.05 2.46 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -58.81 -23.07 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 5.1 t0 -136.21 -174.72 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.99 128.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 34' ' ' THR . 42.2 t -100.2 156.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.3 m -117.12 105.81 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.7 ' CG2' HD11 ' A' ' 23' ' ' LEU . 82.0 m -110.93 129.37 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -103.18 120.36 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.5 tt -103.46 104.11 14.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 73' ' ' ILE . 43.0 mtpt -79.28 145.54 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 16.9 mt -131.01 106.13 8.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.23 148.9 24.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -126.85 98.8 30.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.78 34.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -70.19 162.08 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.8 25.78 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.4 ptp85 -146.01 157.76 43.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -61.14 155.67 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.07 125.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 23.0 m -80.01 139.56 36.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.1 137.77 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 26.6 mtmt -127.44 121.94 32.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.58 HG21 HG11 ' A' ' 61' ' ' VAL . 16.4 t -78.05 127.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -147.08 119.61 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -136.8 167.34 21.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.8 p -63.97 -14.28 52.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -115.45 80.06 7.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -88.33 -58.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.2 ttt180 -38.74 -37.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CE1' HD23 ' A' ' 80' ' ' LEU . 8.4 m-85 -105.32 152.92 22.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -127.18 92.0 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 HG21 ' A' ' 51' ' ' VAL . 97.2 t -91.34 128.68 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.7 mtp180 -146.97 123.04 5.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.76 156.26 92.88 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.347 0.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.1 p -172.03 163.79 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.89 -159.89 32.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mt -129.28 144.97 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 HD13 ' A' ' 15' ' ' LEU . 45.6 mt -108.02 123.06 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -52.71 157.23 2.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.3 Cg_endo -69.79 121.63 8.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.61 39.73 67.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.0 m -138.87 164.95 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 38' ' ' LYS . 59.7 mt -119.44 132.86 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 68' ' ' ILE . 88.4 t -113.97 127.74 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.92 109.89 21.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.36 145.12 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 m -99.93 102.78 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -105.94 91.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -82.17 111.33 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -94.13 111.65 23.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.492 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mm100 -66.32 155.89 86.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.487 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.74 134.46 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 1.1 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -143.31 120.98 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -118.88 148.02 43.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.16 131.44 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.62 125.43 50.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -128.53 144.28 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.7 tt -159.69 139.74 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -52.88 145.69 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -106.94 133.47 20.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.32 57.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -35.34 12.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -95.88 25.05 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 106' ' ' ILE . 2.2 tt -51.27 101.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.9 m -95.42 -64.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 112' ' ' VAL . 65.4 m-20 -100.77 126.0 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.4 tpt -68.44 -38.94 81.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -69.66 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.25 95.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 108' ' ' ASP . 62.0 t -62.68 -51.97 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.512 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 66.7 m95 -60.44 -26.54 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -76.51 -56.09 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.35 -36.95 83.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.09 119.46 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -85.94 155.73 58.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.78 19.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -89.42 -16.04 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -114.06 -9.93 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.636 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.1 mt -82.27 137.63 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -110.87 120.4 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 124' ' ' SER . 10.3 t70 -105.79 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 35.0 m -140.13 120.2 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -85.6 112.37 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.7 tt -121.6 143.41 49.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.754 ' N ' HD23 ' A' ' 126' ' ' LEU . 52.2 ttt180 -111.26 106.7 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.77 116.25 9.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.54 129.87 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 80.9 m-85 -93.0 110.85 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.69 157.67 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 18.0 mtp . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.423 HE22 ' CD1' ' A' ' 17' ' ' LEU . 11.1 tt0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.772 0.32 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.045 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -109.27 -27.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.865 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.1 mt -104.3 129.57 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.66 104.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD1' HE22 ' A' ' 13' ' ' GLN . 6.1 mp -73.37 159.15 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.0 m-20 -153.96 119.07 2.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.73 136.22 37.67 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.386 -0.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.43 12.75 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -67.96 -76.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.34 156.07 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 17.3 tp -98.88 105.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -81.43 153.04 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.71 109.62 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -73.3 118.74 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.77 -160.93 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.15 33.71 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.387 0.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 24.3 m-85 -103.28 21.45 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t -88.73 -16.57 31.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.18 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.91 119.61 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.9 t -102.11 117.05 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -93.85 120.94 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -107.56 143.22 36.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -99.76 120.4 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.17 101.28 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -78.12 149.07 33.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 mt -134.81 104.58 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -84.66 153.89 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HA ' HD23 ' A' ' 15' ' ' LEU . 50.1 t30 -132.5 103.12 13.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.12 6.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.845 ' HB3' HD11 ' A' ' 14' ' ' ILE . 96.8 p -53.49 176.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.08 22.28 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.5 ptp180 -140.86 148.83 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -52.61 136.34 32.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 101' ' ' PHE . 99.0 t -131.16 135.87 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.3 m -86.55 146.88 26.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.48 ' CD1' HG13 ' A' ' 68' ' ' ILE . 18.6 p90 -148.6 130.96 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 46.1 mttt -117.29 145.45 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 61' ' ' VAL . 2.0 t -110.4 123.72 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 133.53 20.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.5 t -132.96 165.44 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -80.44 -11.89 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.59 62.0 23.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.553 0.692 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -40.59 5.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -58.43 -15.77 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -113.36 -28.67 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.14 124.22 49.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.71 94.25 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 46.5 t -87.36 123.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 17.4 mmm180 -138.72 123.21 11.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.78 161.92 85.25 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.361 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -98.78 -0.44 42.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -174.78 150.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.48 -160.68 32.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mt -128.19 138.9 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 49' ' ' PHE . 68.3 mt -101.88 124.02 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.12 152.47 29.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.43 53.24 3.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 m -155.96 163.17 40.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 88.8 mt -113.75 128.75 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.8 t -110.9 125.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.67 118.58 31.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.435 HG13 ' HD2' ' A' ' 63' ' ' PRO . 23.3 t -99.69 153.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.46 104.86 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 61' ' ' VAL . 22.2 t -96.1 93.74 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.452 ' CE ' ' HB2' ' A' ' 62' ' ' ARG . 5.1 mpp? -75.5 112.39 11.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.6 tm? -107.24 112.85 25.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.496 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mp0 -71.06 143.68 89.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 148.83 65.76 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -118.7 126.98 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -128.63 140.37 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.7 t -127.25 129.48 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -101.9 153.03 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.865 ' CG2' HD12 ' A' ' 15' ' ' LEU . 31.6 p -152.46 130.19 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.43 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -147.81 129.29 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 47' ' ' VAL . 39.0 m-85 -44.3 154.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.42 20.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.705 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.43 30.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.71 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.08 21.55 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.482 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.6 tp -43.94 104.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -122.4 -54.46 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.2 92.87 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.7 mtp -50.44 -44.25 55.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.77 -37.99 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.47 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 106' ' ' ILE . 15.9 t -58.15 -62.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 96.3 m95 -49.92 -32.76 15.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -70.2 -58.04 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.91 -29.45 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.37 125.39 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -85.77 155.7 58.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.43 10.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.35 -18.89 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -108.59 -13.29 14.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.29 127.78 33.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.42 136.07 38.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.45 168.2 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.0 p -141.76 124.71 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -82.89 113.76 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.9 tt -129.69 151.03 50.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.885 ' N ' HD23 ' A' ' 126' ' ' LEU . 14.4 ptt85 -126.93 141.75 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.9 m -100.74 127.92 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.4 t -96.43 141.03 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -101.44 105.14 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -110.61 149.43 30.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ptm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -151.53 118.79 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -50.52 124.56 10.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.22 110.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -100.48 137.99 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 p -110.3 89.98 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.33 151.74 28.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mmt -111.06 123.11 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.67 174.23 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -99.36 114.76 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 6.0 p-80 -154.46 121.53 5.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.78 99.41 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.38 145.46 50.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.6 tp -107.5 -33.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 HD12 ' A' ' 68' ' ' ILE . 9.9 mt -90.61 125.24 35.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -86.34 104.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.5 mp -69.68 148.1 49.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.8 m-20 -142.32 119.58 7.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 54.4 Cg_endo -69.72 137.22 42.61 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.36 0.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -30.72 21.9 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.377 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 m -76.56 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -142.96 147.71 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 35' ' ' THR . 22.4 tp -96.44 107.11 19.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -71.48 154.27 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -129.38 117.82 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -81.83 117.3 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.29 0.27 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -177.25 14.15 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.364 0.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 20.8 m-85 -103.9 -17.22 15.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -83.06 9.7 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 10.0 t70 -149.84 168.05 24.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.35 130.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 26' ' ' LYS . 14.8 t -103.77 160.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.479 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.0 m -139.89 111.67 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 ' CG2' HD11 ' A' ' 23' ' ' LEU . 15.4 m -126.97 122.48 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.63 128.74 38.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tt -108.15 113.95 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -85.02 131.81 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 25.9 mt -123.58 105.41 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -87.51 144.74 26.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -123.92 98.83 38.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.592 0.71 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -29.26 24.06 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 p -62.89 167.38 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -112.77 26.47 10.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.5 ptp180 -141.8 148.26 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' HG21 ' A' ' 67' ' ' ILE . 79.3 mttt -50.36 147.51 4.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 45' ' ' ARG . 51.9 t -146.26 133.52 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.2 m -93.84 140.44 29.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -128.48 135.45 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HG3' ' CD2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -116.65 108.21 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 61' ' ' VAL . 29.6 t -76.31 118.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -138.59 128.63 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -127.15 165.88 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 p -78.57 -13.12 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.72 66.41 64.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.0 22.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -89.13 -31.17 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -108.63 24.73 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -143.13 131.62 22.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -122.78 94.09 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 51' ' ' VAL . 90.5 t -94.76 132.77 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.46 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 26.5 ttt85 -153.32 123.22 3.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.77 147.4 84.59 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.331 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -78.98 -3.93 47.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . 96.0 p -172.84 173.64 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.5 -175.0 27.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' LYS . 27.0 mt -115.65 134.17 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD12 HD13 ' A' ' 15' ' ' LEU . 78.5 mt -98.4 108.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.71 151.73 0.31 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.74 122.59 9.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.383 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.51 39.68 29.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.1 m -145.42 165.49 28.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.9 mt -120.04 138.54 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 68' ' ' ILE . 37.1 t -114.84 140.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.7 m -107.92 101.68 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.445 ' CG1' HG13 ' A' ' 61' ' ' VAL . 84.2 t -87.38 139.84 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.8 m -95.58 110.57 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 61' ' ' VAL . 43.5 t -109.51 92.69 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.6 mtm -84.03 130.34 34.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 ' HE2' ' A' ' 130' ' ' PHE . 1.2 tt -103.48 117.97 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.64 143.65 86.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.72 119.76 6.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -141.34 164.96 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -68.92 95.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -82.15 139.38 34.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' OD1' ' CG ' ' A' ' 88' ' ' ASN . 2.5 t70 -110.32 138.77 20.98 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -22.71 31.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.441 ' CG ' ' OD1' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -107.89 35.47 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.01 151.64 46.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -93.69 155.19 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.7 m -78.87 69.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' HIS . 18.4 mmmt -99.86 -64.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' LYS . 23.1 m80 -37.97 148.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -152.94 152.38 31.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.18 112.64 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 29.8 mtm -111.0 119.43 39.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.55 126.57 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.73 140.26 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.0 p -142.22 139.23 31.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.546 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -157.06 137.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -52.37 156.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -107.3 141.56 23.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.1 22.53 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.59 29.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 23.9 12.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.667 ' CD1' HG21 ' A' ' 112' ' ' VAL . 4.3 tp -47.51 97.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.2 m -111.7 -57.67 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.4 t0 -102.33 115.38 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.42 ' SD ' HD11 ' A' ' 106' ' ' ILE . 73.1 mmm -68.39 -50.0 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.34 -29.35 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.29 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 106' ' ' ILE . 51.3 t -66.79 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.546 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 82.3 m95 -53.29 -30.79 40.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -72.69 -55.57 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.97 -37.19 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.33 130.44 31.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -89.63 153.33 47.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -98.07 -10.96 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -114.75 -26.57 7.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.69 125.52 25.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -94.52 133.57 37.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.6 168.89 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -139.81 135.05 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.958 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.6 tt -127.93 149.86 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.958 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -119.57 136.99 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 91.1 m -93.91 119.31 32.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.3 t -100.42 123.36 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 4.4 m-85 -89.77 114.1 25.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -105.71 167.55 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.542 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 5.7 mmt -107.91 147.22 35.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 135' ' ' GLU . 54.0 Cg_endo -69.7 -23.24 31.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -52.61 87.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 133' ' ' PRO . 0.1 OUTLIER -76.74 168.49 19.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -113.38 -45.05 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -145.14 117.08 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -39.54 141.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 139' ' ' LEU . 10.1 tt -123.39 131.07 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -124.03 -38.79 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -159.71 162.98 35.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.4 m -94.23 35.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -178.59 -95.73 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.59 41.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 m -91.36 -39.73 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 31.4 p -46.14 157.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -123.7 151.58 43.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -113.96 140.63 48.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -131.27 0.94 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 t -122.83 115.22 21.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -61.49 -54.88 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.68 173.62 42.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.74 131.74 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.14 157.35 45.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -115.07 90.74 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -173.44 159.74 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -160.23 147.63 16.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -154.92 149.91 26.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -68.76 -39.34 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD12 ' CG2' ' A' ' 99' ' ' THR . 66.1 mt -82.61 121.96 27.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.68 98.73 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 97' ' ' VAL . 4.8 mp -64.82 160.93 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 26.2 t0 -152.92 118.18 2.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.76 136.62 39.67 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.365 0.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.12 25.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.8 m -77.99 -75.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.92 148.5 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.673 ' H ' HD21 ' A' ' 126' ' ' LEU . 30.1 tp -89.03 92.53 9.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.94 148.58 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.9 m-85 -124.19 121.3 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -79.58 113.76 17.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.25 -161.67 1.05 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.16 33.64 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.351 0.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 64.2 m-85 -101.35 4.48 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -84.38 13.75 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -163.06 164.37 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG22 ' HD3' ' A' ' 82' ' ' PRO . 59.2 t -58.04 125.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 34' ' ' THR . 88.3 t -105.61 157.81 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.495 ' N ' HG12 ' A' ' 33' ' ' VAL . 9.4 m -128.52 124.11 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -132.79 123.8 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 5.4 p-10 -90.8 132.98 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.18 103.68 13.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.56 129.42 34.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' A' ' 17' ' ' LEU . 15.0 mt -122.91 107.14 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 41' ' ' ASN . 1.3 tm0? -88.6 146.38 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.5 ' H ' ' NE2' ' A' ' 40' ' ' GLN . 36.3 t-20 -126.35 98.8 31.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -19.54 35.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -75.44 165.32 25.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -107.44 14.46 25.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 ptt-85 -128.53 133.93 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -42.55 137.76 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 45' ' ' ARG . 57.9 t -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 62.6 m -81.45 137.42 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.5 p90 -134.66 133.42 40.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 24.4 mttm -113.22 119.45 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 61' ' ' VAL . 2.4 t -88.42 123.66 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -157.42 121.93 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.502 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 3.0 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.2 p -71.37 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' CB ' HH11 ' A' ' 58' ' ' ARG . . . -115.41 67.15 2.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.76 27.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -63.41 -28.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.577 ' HD2' ' CD2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -109.77 0.98 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' ' HD2' ' A' ' 58' ' ' ARG . 6.5 m-85 -119.37 131.34 55.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.8 m -123.16 95.98 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.836 HG11 HG11 ' A' ' 51' ' ' VAL . 92.5 t -99.26 128.44 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 51.4 ttt180 -146.48 123.92 6.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.722 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 149.18 88.25 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.303 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -77.27 -13.62 59.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -168.48 161.56 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.85 -154.96 25.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -132.32 137.83 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 HD13 ' A' ' 15' ' ' LEU . 66.2 mt -100.99 106.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' ILE . 29.4 m-20 -36.9 149.86 0.16 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 113.78 3.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.83 37.69 15.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -140.62 -179.45 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CG1' ' HG2' ' A' ' 40' ' ' GLN . 18.6 mt -130.11 135.92 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.96 135.11 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 25.1 m -109.61 101.35 10.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG11 ' CG1' ' A' ' 61' ' ' VAL . 60.3 t -83.34 151.22 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.8 m -99.1 104.42 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 61' ' ' VAL . 21.7 t -106.76 93.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.98 130.34 34.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -103.56 111.57 24.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 4.4 mm-40 -58.37 154.15 34.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.655 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.75 130.97 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.361 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -157.37 153.5 27.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -71.37 108.09 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 9.9 t80 -57.03 101.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.65 92.15 45.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.828 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -38.92 7.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -52.47 -20.89 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.96 57.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -93.71 42.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -40.32 -55.33 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -172.37 117.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -153.06 119.37 5.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -151.49 -179.5 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.502 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 7.7 t80 -129.86 124.08 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.12 130.97 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 17' ' ' LEU . 63.6 t -130.45 120.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -101.91 148.81 24.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.72 ' CG2' HD12 ' A' ' 15' ' ' LEU . 2.3 p -150.21 140.42 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.9 tt -158.07 151.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' N ' ' CG1' ' A' ' 100' ' ' ILE . 40.8 m-85 -68.03 143.98 55.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.2 139.57 21.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.29 46.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -83.47 21.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.52 117.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -106.93 -61.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -123.3 111.99 17.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 49.9 mtp -47.45 -38.24 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.63 -47.2 82.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.33 98.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.57 -59.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.6 m95 -49.72 -41.32 43.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.67 -55.5 26.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.56 -34.77 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.34 133.09 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -93.22 155.76 40.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.67 19.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -97.33 -9.35 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.43 -23.07 9.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 137.16 44.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 122' ' ' MET . 3.3 mpp? -108.46 142.06 39.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -122.14 170.79 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m -141.81 123.61 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -87.86 111.22 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.0 tt -123.86 140.67 52.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.783 ' N ' HD23 ' A' ' 126' ' ' LEU . 34.5 ttm-85 -115.82 117.23 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.45 135.2 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.17 125.74 66.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 52.2 m-85 -89.29 107.96 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.547 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 8.0 mt-10 -101.12 165.59 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 29' ' ' PHE . 33.5 mtp -138.87 144.07 39.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.869 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.33 63.53 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.66 120.52 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -48.39 139.82 8.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.83 158.48 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 138' ' ' LYS . 29.2 t70 -93.7 147.12 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 137' ' ' ASP . 8.0 ptmm? -37.52 109.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.6 tp -148.23 109.58 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.33 101.39 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -85.68 -46.76 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 39.6 m -63.95 103.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -123.54 -84.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -0.28 6.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.4 m 55.31 44.46 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.8 t -157.34 115.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 p -168.6 161.06 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.809 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -164.57 167.74 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.06 176.84 19.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -158.7 143.64 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -95.4 -47.1 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.52 144.14 11.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptm -145.46 124.75 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.89 171.5 13.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.68 150.57 51.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -95.98 54.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.32 37.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -148.17 145.64 28.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.596 HD13 ' HZ ' ' A' ' 101' ' ' PHE . 6.8 tp -74.59 -37.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 68' ' ' ILE . 72.5 mt -89.95 131.03 36.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -86.04 107.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.6 mp -72.69 157.64 37.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -149.13 118.25 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.77 136.73 40.27 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.308 0.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -24.07 30.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.734 2.289 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.2 m -82.73 -76.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 14.9 m-20 -144.17 152.97 41.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' HE1' ' A' ' 25' ' ' PHE . 27.0 tp -94.3 112.43 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -92.32 139.27 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' HE1' HD23 ' A' ' 23' ' ' LEU . 29.6 m-85 -113.87 120.69 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.78 120.41 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 28' ' ' PRO . . . -63.85 -158.5 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HB2' HG22 ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.73 158.64 90.71 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.299 0.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 21.7 m-85 -92.13 30.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 28' ' ' PRO . 10.0 t -107.98 0.54 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -149.72 178.78 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.28 118.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -96.63 147.26 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -124.47 113.23 17.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -118.97 123.99 45.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 3.3 m120 -92.85 131.51 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.3 tt -111.12 110.67 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -79.69 133.38 36.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.2 mt -125.93 105.93 9.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.65 155.7 20.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' HA ' HD23 ' A' ' 15' ' ' LEU . 30.6 t-20 -134.38 98.81 13.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -34.32 14.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 14' ' ' ILE . 33.8 p -62.73 155.67 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.71 25.0 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.2 ptp180 -138.73 143.29 39.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.509 ' HD3' HG21 ' A' ' 67' ' ' ILE . 66.0 mttt -45.54 150.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' ARG . 90.7 t -146.21 121.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -83.57 132.02 34.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CE2' HG13 ' A' ' 68' ' ' ILE . 30.3 p90 -128.2 146.91 50.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 18.9 mtpt -133.2 123.99 26.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.46 120.36 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -130.64 120.63 24.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -136.01 144.64 45.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.3 p -65.45 -6.92 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -107.43 82.39 1.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -41.7 4.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -94.61 -43.39 8.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.729 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 12.2 mmt180 -62.18 -35.62 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' CE2' ' A' ' 130' ' ' PHE . 10.9 m-85 -119.87 125.71 49.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -115.86 112.2 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 78' ' ' VAL . 81.8 t -108.69 129.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -148.07 123.94 5.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.71 153.02 92.71 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.351 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.98 -7.69 59.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -171.55 165.16 6.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.67 -169.87 35.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.509 HG21 ' HD3' ' A' ' 46' ' ' LYS . 38.1 mt -117.46 138.52 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.535 HD12 HD13 ' A' ' 15' ' ' LEU . 32.5 mt -101.92 113.18 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.04 145.26 9.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.71 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.76 27.2 29.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.9 m -137.82 168.39 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.9 mt -122.4 134.09 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.22 132.3 62.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 4.2 m -105.39 101.13 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG11 HG13 ' A' ' 61' ' ' VAL . 85.8 t -83.55 143.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -91.92 109.32 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 61' ' ' VAL . 11.8 t -109.47 94.56 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -82.43 135.46 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -121.26 112.83 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.1 mp0 -69.38 144.13 94.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.4 47.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.244 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -154.69 162.84 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.35 105.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -51.84 111.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.44 92.17 6.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -46.34 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -130.26 9.13 5.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -93.66 83.25 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 39.78 51.04 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.8 p -69.93 140.27 53.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -153.33 131.89 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 14.6 p-80 -166.56 129.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HE2' ' CE ' ' A' ' 125' ' ' LYS . 13.2 ttmt -140.81 145.13 35.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -149.51 106.55 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.57 156.09 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.7 t -137.62 141.01 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -114.68 146.07 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.428 ' CG2' HD12 ' A' ' 15' ' ' LEU . 40.4 p -148.45 117.74 6.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.513 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 5.0 tt -133.83 141.49 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 74.6 m-85 -56.83 149.55 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.81 138.94 24.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 161.28 46.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -11.91 31.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -126.25 27.04 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.49 HD12 HG21 ' A' ' 112' ' ' VAL . 3.0 tt -50.52 99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.8 m -93.94 -56.66 2.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -126.81 130.13 49.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.5 mmm -47.36 -51.94 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.08 -41.41 35.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.05 95.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 106' ' ' ILE . 41.2 t -65.38 -58.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.534 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 88.2 m95 -58.93 -34.46 71.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.47 -55.52 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -65.49 -32.6 74.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.39 130.56 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -91.84 153.67 43.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.06 22.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -97.44 -4.41 38.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.44 -19.19 6.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.32 121.03 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -89.79 125.94 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -120.23 151.26 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -134.71 112.84 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' CE ' ' HE2' ' A' ' 94' ' ' LYS . 15.8 tptt -83.09 109.71 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.623 ' C ' HD23 ' A' ' 126' ' ' LEU . 6.6 tt -113.62 134.64 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.452 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.2 ttm180 -99.71 137.84 37.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 3.1 m -91.18 126.85 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.31 112.45 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 22.3 m-85 -86.19 104.62 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.573 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 64.7 mt-10 -97.18 167.21 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.4 mmm -113.78 143.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.06 6.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.393 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -38.46 -40.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -109.3 118.78 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -120.28 97.72 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -75.35 170.34 16.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -110.73 110.68 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 140' ' ' ASN . 4.0 tt -136.73 158.41 44.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.804 ' N ' HD23 ' A' ' 139' ' ' LEU . 24.0 p30 38.86 32.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -65.91 100.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -174.3 166.31 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.12 -167.0 25.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 112.25 3.02 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.25 . . . . 0.0 112.378 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.8 p -74.21 141.33 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.6 t -149.87 144.61 26.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -106.74 112.73 25.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.903 0.383 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -80.78 -48.73 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.2 -120.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 48.18 42.5 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -103.68 104.14 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.85 148.17 17.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.0 ttm -84.39 86.83 7.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.33 163.91 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.33 108.25 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -105.85 117.95 35.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -111.96 9.09 20.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -135.4 148.59 49.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 tp -76.44 -30.4 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD13 HD12 ' A' ' 68' ' ' ILE . 56.3 mt -84.65 130.31 34.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 81.0 t -84.59 99.51 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.5 158.89 28.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.9 t70 -153.46 118.45 2.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.4 Cg_endo -69.81 137.17 42.56 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.342 0.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.11 25.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 p -80.58 -74.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 7.5 m-20 -144.03 149.39 36.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 25' ' ' PHE . 17.6 tp -93.9 109.48 21.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.8 150.98 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CE1' HD23 ' A' ' 23' ' ' LEU . 13.6 m-85 -124.37 113.14 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.19 15.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.98 -159.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.77 83.49 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.39 0.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 20.6 m-85 -87.27 -12.97 45.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t -58.61 -29.99 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.97 168.57 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 32' ' ' VAL . 2.8 p -66.23 122.64 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.28 148.61 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -115.9 111.32 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -112.01 134.36 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -107.87 122.96 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -101.99 111.52 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -82.4 138.5 34.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -131.42 103.62 6.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -86.65 158.67 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -133.34 99.05 14.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -22.13 32.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 p -71.57 -179.62 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.25 27.77 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.1 ptm85 -143.05 135.16 27.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -39.87 135.28 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.5 t -132.5 122.01 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.441 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 98.0 m -81.33 133.36 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 66' ' ' GLY . 25.7 p90 -130.58 148.12 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 16.0 mttm -131.08 142.08 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -105.19 123.13 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -143.18 130.32 20.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -141.05 163.8 31.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 p -70.17 -6.34 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -114.85 81.87 7.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.83 17.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.9 -55.18 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.2 tpp180 -53.4 -48.85 68.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -99.28 127.12 45.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -121.87 101.77 7.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 51' ' ' VAL . 58.5 t -93.09 129.73 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 42.3 ttp180 -145.94 122.61 5.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.4 Cg_endo -69.72 157.14 92.26 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.354 -0.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -87.65 -5.16 58.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 p -172.02 147.48 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 177.14 -175.32 47.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.18 135.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.72 HD12 HD13 ' A' ' 15' ' ' LEU . 67.9 mt -99.76 116.99 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.09 146.44 8.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.7 Cg_endo -69.75 109.97 2.44 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.63 43.68 4.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.4 m -154.74 -176.97 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.07 139.64 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.474 HG21 HG12 ' A' ' 68' ' ' ILE . 19.4 t -113.5 139.51 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -115.76 101.66 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.31 137.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -86.36 106.75 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 t -100.66 101.83 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.1 mtm -83.22 134.8 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -118.9 114.1 22.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.529 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.2 mp0 -68.83 141.62 92.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.39 8.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -140.42 174.2 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.75 102.31 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 21.1 t80 -67.16 136.18 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.39 98.0 8.43 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.89 -29.5 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -109.19 153.33 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -115.23 -55.02 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -97.48 103.47 15.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 -55.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -79.31 155.58 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -136.82 145.95 45.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.49 133.66 53.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 19.0 mtm -129.4 114.57 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.8 t -112.37 123.15 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 31.9 tt0 -101.61 142.18 33.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.2 p -142.89 141.57 31.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.502 HG22 ' CH2' ' A' ' 113' ' ' TRP . 3.6 tt -154.0 146.56 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 45' ' ' ARG . 72.5 m-85 -63.97 136.03 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.4 138.55 20.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.87 44.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.03 30.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -115.67 49.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.517 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -77.87 109.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 m -102.28 -65.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 112' ' ' VAL . 71.4 m-20 -87.88 108.99 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.0 tpt -59.74 -57.4 13.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.75 -51.29 61.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -48.97 -49.05 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 108' ' ' ASP . 76.3 t -50.08 -56.98 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 100' ' ' ILE . 82.7 m95 -57.32 -39.96 76.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -59.89 -53.05 62.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -64.53 -36.63 84.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -46.05 120.78 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -84.09 155.06 64.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.698 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -7.78 21.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.314 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 -17.68 25.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -114.86 -6.84 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 15.3 mt -86.57 119.6 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -89.64 156.88 18.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -146.09 162.42 37.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.9 t -134.91 121.54 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -84.15 107.58 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.638 ' C ' HD23 ' A' ' 126' ' ' LEU . 5.9 tt -128.57 133.83 48.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.447 ' N ' HD23 ' A' ' 126' ' ' LEU . 21.1 ptt180 -102.87 136.56 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.01 115.73 26.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 51.2 t -95.35 132.22 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.2 m-85 -101.53 107.38 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -110.82 151.63 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.2 mtp -96.49 153.19 38.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.543 0.687 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.382 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 52.65 41.95 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -106.7 130.11 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -94.99 115.07 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.38 135.16 26.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -76.96 120.89 22.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 mp -96.08 172.06 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -91.23 157.85 16.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -103.14 143.25 32.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.2 m -113.38 135.65 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 156.47 147.59 4.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 145' ' ' SER . 53.7 Cg_endo -69.76 0.26 5.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 144' ' ' PRO . 19.1 p -35.58 139.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.3 p -61.2 138.21 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m 60.44 41.91 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -92.03 107.03 18.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.02 87.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.54 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -126.46 121.27 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -145.37 145.73 31.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.79 -153.71 22.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.76 168.75 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.41 164.8 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -102.09 47.34 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -137.88 129.68 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -110.05 130.47 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.15 149.32 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 101' ' ' PHE . 11.4 tp -80.18 -20.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -115.42 114.26 24.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m -89.37 143.94 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 17' ' ' LEU . 4.8 mp -105.75 161.1 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.69 117.48 4.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 137.47 43.99 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.309 -0.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -36.18 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.6 m -67.06 -76.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.21 152.26 40.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.748 ' H ' HD21 ' A' ' 126' ' ' LEU . 43.2 tp -96.27 106.28 18.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.58 155.43 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 35.3 m-85 -128.89 121.48 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -80.74 122.4 27.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.58 -162.46 11.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.83 24.19 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.342 0.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 19.6 m-85 -103.67 14.76 30.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -76.68 -22.65 53.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -130.63 177.38 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 82' ' ' PRO . 78.3 t -69.63 121.0 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.62 139.55 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -111.59 112.2 23.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.51 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 5.5 m -106.81 140.08 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.22 120.47 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.17 108.71 19.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -81.33 141.74 33.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 26.6 mt -131.87 104.97 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 40.5 tt0 -89.15 149.76 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -125.58 98.9 33.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.94 37.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.466 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 88.9 p -72.52 -176.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -126.35 15.85 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.3 ptp180 -137.58 149.27 46.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -50.37 144.55 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 45' ' ' ARG . 77.6 t -142.33 121.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.0 m -74.03 135.64 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.57 129.77 31.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 17.4 mttm -115.68 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.26 109.3 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -131.27 126.71 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -129.81 149.53 51.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -53.03 -20.41 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.58 79.89 1.1 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.571 0.7 . . . . 0.0 111.052 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -35.01 13.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -88.31 -54.01 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.796 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 62.6 mtt85 -51.56 -39.1 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE1' ' HG ' ' A' ' 80' ' ' LEU . 4.5 m-85 -110.99 143.77 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.9 m -125.26 102.98 7.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 63' ' ' PRO . 56.2 t -91.42 125.76 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -145.23 116.13 5.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.643 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.9 Cg_endo -69.77 162.24 84.55 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.368 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m120 -90.17 -16.36 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.5 p -170.57 156.04 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.66 -149.14 11.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.9 mt -133.68 140.33 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG23 HG23 ' A' ' 74' ' ' VAL . 65.8 mt -103.96 116.85 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.53 147.95 2.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.25 33.28 20.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.6 m -141.57 157.06 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -108.11 130.31 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.423 HG23 HG23 ' A' ' 68' ' ' ILE . 54.4 t -112.1 132.55 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 m -103.15 120.98 41.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.25 137.6 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -90.37 96.33 10.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.04 98.14 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -79.74 148.15 31.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -131.41 111.48 11.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.8 145.74 99.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 114.79 3.82 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -138.33 159.97 40.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -64.63 92.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -59.53 104.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 15.3 m-20 -121.55 92.19 48.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.6 Cg_endo -69.83 -40.11 5.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -45.42 -44.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -112.6 100.78 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -126.15 130.77 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -94.49 -48.62 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -129.42 -63.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 m80 40.18 51.84 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -128.2 166.79 17.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -145.04 122.8 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.65 145.45 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.78 134.69 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -102.56 147.78 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 p -150.96 128.72 11.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.575 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 3.1 tt -150.18 144.85 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 14' ' ' ILE . 96.5 m-85 -57.63 152.32 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.3 136.09 20.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 168.21 22.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -29.3 24.16 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -117.75 65.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.584 HD12 HG21 ' A' ' 112' ' ' VAL . 2.1 tt -92.42 98.97 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.3 t -89.33 -54.39 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.9 m-20 -110.82 117.3 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 45.2 mtp -66.42 -46.42 76.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.32 -38.39 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.15 -46.97 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG21 HD12 ' A' ' 106' ' ' ILE . 59.5 t -52.39 -56.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.575 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 99.3 m95 -54.97 -37.56 66.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.97 -52.42 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.96 -33.86 76.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.34 135.34 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -95.61 153.23 39.49 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -10.86 29.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.84 -18.33 35.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -113.55 -18.32 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 100' ' ' ILE . 14.3 mt -74.38 127.37 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.03 123.16 37.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.39 165.43 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -136.45 123.19 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -84.4 116.86 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.748 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.8 tt -137.66 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.66 ' N ' HD23 ' A' ' 126' ' ' LEU . 42.5 ttp180 -110.97 131.05 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 2.5 m -74.41 117.43 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.39 117.1 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 10.4 m-85 -88.29 113.26 23.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -103.02 159.77 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.2 mtp -135.37 145.2 52.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.1 17.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.278 . . . . 0.0 112.361 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.409 ' OD1' ' CB ' ' A' ' 136' ' ' ASN . 15.0 t-20 -39.11 -63.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 65.88 47.93 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' CB ' ' OD1' ' A' ' 134' ' ' ASN . 4.3 t-20 -102.56 -11.13 18.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.72 23.45 11.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -90.72 139.11 31.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.27 -69.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.69 167.66 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -55.04 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t -65.62 149.77 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.817 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -168.13 165.1 38.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.76 31.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.9 m -41.33 128.93 3.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 t -48.66 173.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -103.79 124.11 48.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.0 p -88.23 121.87 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.36 -169.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -99.0 154.33 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -164.65 154.6 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.8 -84.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ptp -136.7 159.52 41.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.2 122.78 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 153.42 19.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -144.94 151.33 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 5.3 mp0 -113.16 0.79 15.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -81.93 134.89 35.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tp -96.68 -25.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD12 ' CG2' ' A' ' 99' ' ' THR . 17.7 mt -97.64 129.19 44.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.9 t -94.85 104.6 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.94 152.89 38.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.572 ' O ' HD23 ' A' ' 37' ' ' LEU . 32.7 m-20 -143.22 117.99 6.3 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 137.82 46.05 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.34 0.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -35.58 12.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -70.23 -75.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -143.98 151.8 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.828 ' H ' HD21 ' A' ' 126' ' ' LEU . 41.8 tp -89.63 117.84 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -94.18 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 38.7 m-85 -114.43 124.76 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -84.19 122.63 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.61 -162.03 10.9 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -174.5 9.56 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.34 0.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 21.4 m-85 -110.63 2.5 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -74.37 -4.9 39.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -148.68 166.09 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG22 ' HD3' ' A' ' 82' ' ' PRO . 75.8 t -51.21 131.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 34' ' ' THR . 47.7 t -106.53 158.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 33' ' ' VAL . 19.7 m -133.64 119.98 20.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.416 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 93.1 m -129.63 120.6 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.03 130.84 37.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -110.05 112.06 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -82.16 136.86 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.88 103.95 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 15.1 tt0 -89.31 152.19 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 42.8 t30 -130.57 98.82 19.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.05 31.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 p -61.89 -177.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' C ' ' HB3' ' A' ' 70' ' ' PRO . 87.3 m-20 -123.75 14.16 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 3.6 ptp180 -135.85 152.89 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.11 150.08 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 100' ' ' ILE . 59.9 t -147.35 133.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 8.9 m -88.25 149.1 24.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -145.36 141.89 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 113' ' ' TRP . 29.1 mtmt -130.7 119.17 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -82.9 107.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -115.64 128.18 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 t -139.34 160.37 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.9 p -73.19 -2.56 22.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -118.01 85.74 24.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.07 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -94.65 -48.07 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.735 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 21.7 ttt180 -47.32 -39.72 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 80' ' ' LEU . 4.8 m-85 -107.42 145.75 32.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.45 91.69 3.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' A' ' 78' ' ' VAL . 6.6 m -98.74 133.36 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 77.4 mtt180 -154.38 122.25 2.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.653 0.739 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.2 Cg_endo -69.74 164.18 79.86 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.38 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -106.18 -7.13 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.9 p -169.74 146.99 3.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.42 17.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.1 mt -131.77 142.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.4 mt -110.7 117.09 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.51 152.83 11.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.71 126.12 12.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.88 22.39 69.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -127.85 172.76 10.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -131.72 135.02 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -111.51 137.91 42.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.8 m -108.01 107.32 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.81 150.51 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.0 m -102.76 96.19 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 61' ' ' VAL . 8.2 t -95.9 96.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.4 mtm -93.02 135.32 34.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -114.84 109.93 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -58.33 156.71 20.5 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.62 0.724 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD3' HG22 ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.71 118.7 5.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -139.4 152.85 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.45 105.66 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -77.67 108.56 10.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 88' ' ' ASN . 5.2 t0 -105.25 92.12 5.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.5 Cg_endo -69.8 -41.6 4.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.291 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.484 ' ND2' ' OD1' ' A' ' 86' ' ' ASP . 1.4 p-10 -60.5 -42.24 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.79 -174.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 154.36 20.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.8 p -126.39 119.37 27.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -120.3 95.89 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.641 ' CD2' ' N ' ' A' ' 94' ' ' LYS . 4.5 t60 -160.63 163.67 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.641 ' N ' ' CD2' ' A' ' 93' ' ' HIS . 15.0 ttpt -162.84 161.49 26.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -132.63 116.95 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -117.33 144.89 44.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.91 123.97 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' CD ' HD22 ' A' ' 121' ' ' LEU . 33.0 tt0 -100.17 138.04 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 15' ' ' LEU . 76.2 p -142.32 140.45 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.5 tt -154.35 144.35 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -57.83 149.91 21.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -117.72 136.13 23.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 111.07 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.75 18.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.96 31.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ILE . 7.8 t-20 -96.8 -57.9 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.8 tt 34.44 52.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -43.41 -57.15 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.871 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.0 m-20 -113.07 129.07 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mtp -69.39 -52.84 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -54.24 -53.55 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -46.68 -44.72 18.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 108' ' ' ASP . 17.1 t -50.58 -54.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 98.4 m95 -56.77 -41.82 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -59.81 -54.32 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.84 -33.99 76.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 130.25 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -89.38 153.95 48.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.1 9.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.385 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -95.98 -20.83 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -106.59 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 98' ' ' GLN . 11.7 mt -73.94 135.48 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -102.7 132.22 48.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 159.37 27.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -134.67 123.3 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -85.1 113.21 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.828 HD21 ' H ' ' A' ' 23' ' ' LEU . 7.1 tt -127.89 141.38 51.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.72 ' N ' HD23 ' A' ' 126' ' ' LEU . 45.9 ttp85 -111.79 126.06 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 28.1 m -76.18 122.53 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 28.3 t -102.61 115.99 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 7.2 m-85 -89.65 107.06 18.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.48 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.516 ' SD ' ' CD2' ' A' ' 29' ' ' PHE . 70.8 mmm -136.34 133.37 19.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 103.68 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -89.98 66.07 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' A' ' 139' ' ' LEU . 14.5 tp10 -112.33 130.35 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -122.12 -39.99 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -112.91 115.82 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -38.91 104.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.469 HD12 ' OE2' ' A' ' 135' ' ' GLU . 8.1 mt -102.02 84.26 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 44.85 41.93 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -97.5 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.9 p 44.15 43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 93.69 -158.8 23.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 114.08 3.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.1 t -82.67 128.09 34.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.2 p -123.28 23.35 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -100.5 -56.91 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 p 38.36 47.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.815 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.81 -147.53 8.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 p 37.88 49.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -67.29 -58.09 5.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.64 127.06 3.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 mtp -105.39 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.31 171.32 14.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -136.39 109.48 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -116.65 167.9 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -129.93 68.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.706 ' OE1' HD11 ' A' ' 17' ' ' LEU . 5.1 tt0 -126.1 124.44 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 43' ' ' SER . 5.2 tp -46.69 -40.86 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' CD2' ' OD1' ' A' ' 41' ' ' ASN . 9.7 mt -84.11 149.11 26.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.4 t -109.41 105.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -77.82 151.63 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.58 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -139.54 118.24 8.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.77 137.28 43.03 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.3 0.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -77.64 -75.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 8.2 p-10 -143.96 152.11 40.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.74 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 24.7 tp -91.68 115.24 27.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -95.15 125.49 39.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.74 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 8.8 m-85 -102.84 140.34 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -104.51 115.97 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.59 -162.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 157.9 91.71 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.325 0.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -93.32 32.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.0 p -99.69 -23.03 15.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -130.4 175.61 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -56.38 123.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -97.7 135.47 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -117.55 116.19 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -119.21 145.63 45.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -109.92 103.19 11.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -76.5 136.5 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 14.8 mt -129.26 105.21 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -88.91 159.23 17.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 29.1 t-20 -134.93 98.93 12.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -28.79 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.779 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.5 p -61.58 163.12 7.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.08 27.75 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.8 ptp180 -151.07 147.86 27.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 67' ' ' ILE . 30.4 mtmt -50.81 149.41 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -143.82 116.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -72.13 136.45 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -131.27 141.13 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' CG ' ' CE2' ' A' ' 113' ' ' TRP . 16.6 mmtt -125.16 128.27 48.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.11 118.49 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -140.46 119.2 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -117.79 165.98 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.0 p -64.31 -32.49 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.93 70.33 0.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.5 2.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -63.91 -20.84 66.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 8.0 ttt-85 -103.11 -16.13 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 80' ' ' LEU . 6.4 m-85 -110.12 135.38 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -124.72 91.53 3.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.484 HG12 HG13 ' A' ' 78' ' ' VAL . 6.1 m -91.09 131.28 38.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.8 ttp85 -143.76 120.86 6.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.76 157.83 91.64 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.358 -0.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -98.28 -4.14 35.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 p -169.97 153.83 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.08 -168.92 39.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.534 HG21 ' HD2' ' A' ' 46' ' ' LYS . 13.2 mt -121.62 144.11 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 74' ' ' VAL . 93.7 mt -110.17 105.63 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.21 150.72 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.78 112.61 3.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 39.55 6.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -144.1 -179.35 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.3 mt -134.67 134.36 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 68' ' ' ILE . 24.2 t -111.61 137.83 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -108.82 102.76 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.01 137.37 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -88.38 113.29 23.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 61' ' ' VAL . 34.6 t -100.69 119.87 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 15.3 mtt -102.05 136.6 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -133.41 112.11 11.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.623 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.64 142.81 96.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 143.84 52.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 14.3 p90 -154.51 -179.49 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.11 95.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -67.99 116.66 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 6.6 m-20 -91.55 109.81 38.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 54.2 Cg_endo -69.75 -32.23 19.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -55.36 -50.48 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -92.72 132.54 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 91' ' ' SER . 18.2 pttm -62.21 -50.19 72.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 88.7 p -165.14 146.5 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.64 -43.45 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -71.8 179.56 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -148.9 156.8 42.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -131.53 114.36 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -114.79 151.94 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.81 130.18 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -99.72 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -143.38 141.48 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.606 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.4 tt -159.77 142.68 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -60.86 147.95 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.15 139.34 22.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.32 24.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -20.02 35.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -113.8 15.2 18.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.0 tp -37.79 112.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -125.85 -73.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 112' ' ' VAL . 29.9 m-20 -87.3 107.82 18.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.6 mtp -57.6 -44.25 85.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 114' ' ' LYS . 8.4 pt-20 -57.88 -55.61 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.17 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.656 HG21 ' CD1' ' A' ' 106' ' ' ILE . 54.5 t -57.44 -57.06 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.503 ' CE2' ' CG ' ' A' ' 50' ' ' LYS . 86.4 m95 -52.26 -43.87 64.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 110' ' ' GLU . 4.1 mptt -61.18 -47.66 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.92 -31.56 72.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.43 132.56 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -93.14 153.11 41.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.57 18.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.47 -25.04 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -107.56 -24.55 11.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.606 HD23 ' HB ' ' A' ' 100' ' ' ILE . 18.9 mt -68.48 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.8 mtm -102.89 142.05 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.59 163.51 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.6 t -135.45 129.99 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -87.81 118.43 27.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.61 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.2 tt -128.12 129.59 46.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.487 ' N ' HD23 ' A' ' 126' ' ' LEU . 38.4 ttm180 -97.94 123.42 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 8.9 m -80.06 117.49 20.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.62 118.65 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.31 105.63 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.54 158.61 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mtp -113.82 153.07 46.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 123.26 9.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.715 2.277 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -99.81 173.78 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -102.53 138.04 39.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -48.67 116.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.23 22.62 9.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -98.75 144.62 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 139' ' ' LEU . 7.2 tt -94.12 -59.37 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 139' ' ' LEU . 9.2 t-20 -36.25 149.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -88.1 -68.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -142.55 132.96 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.66 -76.35 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.17 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -57.09 120.76 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -104.53 158.09 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 7.6 m -35.99 131.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -111.82 42.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.69 124.29 3.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -129.65 176.71 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -135.28 125.75 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.85 -151.38 11.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 tpt -149.37 114.39 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.41 130.75 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 131.54 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -116.54 109.93 17.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.82 46.56 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -137.71 172.51 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tp -106.8 14.93 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 ' HD2' ' A' ' 42' ' ' PRO . 47.3 mt -131.39 163.64 27.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.6 t -120.24 106.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.98 147.56 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.4 t70 -140.65 119.2 8.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.613 0.721 . . . . 0.0 110.848 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 54.3 Cg_endo -69.71 136.75 40.26 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 -1.815 . . . . 0.0 112.344 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -32.04 19.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -73.66 -74.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -143.86 148.96 36.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' H ' HD21 ' A' ' 126' ' ' LEU . 24.4 tp -92.83 117.63 30.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -93.09 148.32 22.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -122.28 127.22 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -92.14 118.93 31.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' HD3' ' A' ' 133' ' ' PRO . . . -61.26 -158.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 177.0 30.24 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.301 0.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 28.7 m-85 -101.9 15.09 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -83.2 -41.39 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -116.29 -179.53 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -64.67 130.55 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.3 151.85 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -123.12 128.54 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 m -131.56 124.34 29.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -92.18 120.41 32.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -105.87 110.7 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -78.03 145.2 36.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.8 mt -143.06 105.65 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.64 161.87 19.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 56.7 t-20 -128.58 98.85 24.38 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.77 -40.47 5.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.38 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 p -60.35 156.95 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.54 36.8 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 47' ' ' VAL . 3.7 ptp180 -156.6 140.18 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 79.8 mttt -42.31 133.15 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' ARG . 42.4 t -126.65 127.73 70.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 72.3 m -79.8 159.2 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.53 135.76 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 14.0 mmtt -121.65 114.05 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 61' ' ' VAL . 2.7 t -83.13 112.57 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -142.95 129.94 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -134.29 167.1 21.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.6 p -58.51 -23.08 57.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.957 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -108.38 80.17 1.1 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -35.1 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -88.4 -43.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.957 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 36.1 mtt85 -62.91 -45.52 92.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -101.41 128.02 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.71 99.65 6.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.799 HG22 HG13 ' A' ' 78' ' ' VAL . 67.7 t -94.92 138.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 8.8 ttt180 -149.88 122.46 4.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.72 143.75 74.66 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.738 -1.776 . . . . 0.0 112.357 -0.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.32 -11.83 60.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 p -174.16 159.54 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.04 -157.44 27.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.525 HD11 ' SD ' ' A' ' 109' ' ' MET . 16.6 mt -128.25 132.27 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.723 HG23 HG23 ' A' ' 74' ' ' VAL . 36.0 mt -101.32 120.36 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -48.87 155.9 0.98 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.0 Cg_endo -69.76 123.84 10.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.7 39.8 85.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -136.16 178.09 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.41 134.73 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.723 HG23 HG23 ' A' ' 68' ' ' ILE . 22.2 t -116.7 142.23 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -110.35 105.14 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' CG1' ' CG1' ' A' ' 61' ' ' VAL . 84.6 t -89.88 141.97 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.8 m -95.36 111.65 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -110.07 102.9 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.6 mtm -88.48 148.31 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -133.47 112.44 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.5 ' N ' ' OE1' ' A' ' 81' ' ' GLN . 2.0 mp0 -63.02 146.83 95.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.75 135.33 30.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -150.45 161.59 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.15 105.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -74.32 111.7 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 25.9 m-20 -106.77 92.25 7.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.8 Cg_endo -69.73 -45.03 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -42.41 -39.9 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -104.97 118.3 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -51.66 133.96 30.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.44 ' HG ' ' HE1' ' A' ' 130' ' ' PHE . 69.6 m -54.62 143.81 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -116.2 25.13 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.402 ' ND1' ' HB2' ' A' ' 55' ' ' ALA . 8.8 m-70 -110.48 127.3 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -116.09 148.29 40.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -111.89 123.81 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -120.22 148.45 43.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -134.43 135.22 54.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -105.47 140.65 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.8 p -140.49 134.45 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.533 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.3 tt -151.39 139.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -45.9 162.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -119.44 127.05 26.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 155.32 65.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.69 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.15 54.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 112' ' ' VAL . 1.6 tt -83.47 132.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.1 m -125.42 -66.24 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -95.53 92.77 6.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 67' ' ' ILE . 11.3 tpt -45.21 -33.79 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.7 pp20? -64.53 -55.53 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.475 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -49.88 -51.14 42.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 106' ' ' ILE . 26.6 t -42.11 -59.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.54 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 88.5 m95 -53.24 -42.21 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -60.51 -56.44 21.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.67 -37.5 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.55 131.83 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -96.08 154.88 38.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.79 33.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.36 -28.97 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.94 -21.64 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.533 HD23 ' HB ' ' A' ' 100' ' ' ILE . 12.1 mt -71.1 126.38 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -93.77 144.5 25.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -131.3 167.6 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.4 p -143.88 136.78 27.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -98.52 107.7 20.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 23' ' ' LEU . 6.6 tt -121.22 142.74 49.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.758 ' N ' HD23 ' A' ' 126' ' ' LEU . 2.4 ptp85 -109.41 127.55 54.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.25 122.68 32.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.01 123.35 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.44 ' HE1' ' HG ' ' A' ' 91' ' ' SER . 1.8 m-85 -87.36 105.62 17.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -103.93 159.16 15.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mmm -97.5 149.97 36.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 135' ' ' GLU . 53.7 Cg_endo -69.79 -2.47 10.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.46 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' PRO . 10.9 mp0 -152.96 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -145.9 126.62 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -164.16 124.07 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -110.97 102.09 10.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.6 tp -99.74 90.57 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 63.45 39.37 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -121.09 95.78 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.5 m -117.32 94.98 4.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 179.57 -100.08 0.13 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.434 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 140.89 43.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.387 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 75.2 p -166.03 144.13 5.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.2 p 54.44 47.74 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -173.25 124.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -151.09 163.18 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.73 44.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -153.05 154.42 34.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -116.03 -59.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.76 -51.71 0.71 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 mtt -99.88 118.54 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.21 171.22 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -106.35 100.17 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' HB2' ' NE2' ' A' ' 13' ' ' GLN . 15.8 p-80 -108.09 104.21 13.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.48 37.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 11' ' ' HIS . 6.4 pm0 -146.86 150.08 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tp -83.6 -28.32 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 99' ' ' THR . 14.2 mt -92.3 135.13 34.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.11 104.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.15 155.42 40.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 1.7 m-20 -143.94 117.75 5.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.843 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.8 Cg_endo -69.76 138.49 49.38 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.351 -0.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.63 12.27 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -75.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -144.02 152.63 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.775 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.4 tp -91.89 109.52 20.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -88.96 140.8 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD23 ' A' ' 23' ' ' LEU . 10.3 m-85 -113.17 122.11 46.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.38 116.44 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.86 -162.56 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.95 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.336 0.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 57.0 m-85 -98.47 22.5 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -76.76 -12.28 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 3.1 t70 -150.18 -176.73 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.76 118.84 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -99.05 122.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -98.54 110.31 22.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.1 m -104.19 134.79 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -93.44 122.32 35.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.5 111.75 24.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -88.04 131.12 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.09 104.62 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.04 154.47 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -133.62 98.86 14.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -37.36 9.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.1 p -54.27 173.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.11 36.68 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 18.9 ptp180 -154.52 150.53 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.99 140.48 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG13 ' C ' ' A' ' 100' ' ' ILE . 42.6 t -135.12 132.45 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 29.5 m -87.1 132.79 33.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -129.22 146.78 51.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HG3' ' CE2' ' A' ' 113' ' ' TRP . 40.0 mttt -128.93 129.14 45.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -93.44 130.06 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -144.26 126.76 15.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 55' ' ' ALA . 10.5 t -138.67 149.23 44.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 p -58.85 -11.33 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 58' ' ' ARG . . . -105.28 90.53 3.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 53.4 Cg_endo -69.86 -46.71 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -96.45 -47.8 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 27.1 mtm180 -52.41 -34.32 47.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 5.4 m-85 -115.9 125.21 52.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -117.57 109.73 17.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 78' ' ' VAL . 60.2 t -109.36 125.37 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 29.5 mtp180 -142.69 123.39 8.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.82 159.35 90.0 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.345 0.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -88.48 -9.9 50.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.8 p -170.9 150.77 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.34 -168.81 40.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.61 139.82 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.91 128.74 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -64.97 150.63 94.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.78 120.5 7.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 30.51 44.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.1 m -137.63 176.35 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -131.69 136.16 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.99 132.4 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.4 m -104.45 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -89.52 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -97.9 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HG22 ' A' ' 61' ' ' VAL . 86.6 t -110.69 92.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -80.77 150.47 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 81' ' ' GLN . 4.9 tt -132.19 121.31 23.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD23 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -64.11 143.01 98.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 52.8 Cg_endo -69.79 127.37 14.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 85' ' ' TYR . 12.8 p90 -157.4 131.11 8.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -46.85 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 83' ' ' PHE . 2.9 t80 -90.65 106.79 18.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.69 123.15 67.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -41.22 4.53 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.752 2.302 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -54.03 -45.42 71.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.33 142.51 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -64.56 176.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.2 p -124.87 135.62 53.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -107.82 70.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 128' ' ' CYS . 0.2 OUTLIER -154.08 158.45 40.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -151.27 158.99 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -129.41 128.23 42.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 31.4 mtm -129.08 144.24 51.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.9 t -132.52 129.98 59.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -99.38 149.84 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' HD12 ' A' ' 15' ' ' LEU . 23.5 p -152.6 136.53 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 4.0 tt -159.76 132.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 45' ' ' ARG . 90.1 m-85 -46.16 141.79 3.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -98.49 136.8 20.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.73 59.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.31 33.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -102.93 7.55 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -41.16 126.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 m -130.54 -53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.78 115.59 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.7 mmm -55.85 -56.13 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -53.12 -31.43 42.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.18 69.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.56 -56.9 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.532 ' CZ3' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -57.87 -37.96 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -62.69 -55.88 22.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -61.21 -38.28 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.46 132.01 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -90.78 154.09 45.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.17 -18.89 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -113.11 -21.25 11.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.07 132.01 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -95.23 150.37 20.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -134.63 158.37 44.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.4 m -135.44 118.52 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -88.05 112.45 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.3 tt -119.94 142.12 49.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.779 ' N ' HD23 ' A' ' 126' ' ' LEU . 10.8 tpp180 -110.51 113.0 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 93' ' ' HIS . 54.1 m -77.09 130.24 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.3 t -115.74 145.04 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -104.34 106.51 17.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.3 164.38 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.8 mtp -135.52 152.41 76.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.78 5.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -38.95 -48.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.95 175.86 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -53.06 91.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.05 140.94 42.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -121.99 164.12 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -134.24 98.8 4.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -113.7 88.35 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -137.57 164.89 27.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.9 p -124.46 77.21 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.94 -160.29 28.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 127.8 15.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.731 2.288 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -71.74 87.04 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.7 p -51.67 129.89 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -125.29 81.83 2.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -160.06 132.47 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.69 146.02 7.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -123.53 127.59 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -59.08 112.77 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.42 129.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.62 163.82 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.833 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.78 165.8 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -120.92 175.42 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -90.07 112.46 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -120.36 32.98 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -151.68 -178.41 6.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 43' ' ' SER . 10.1 tp -115.18 -23.94 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' ' 68' ' ' ILE . 80.3 mt -96.34 126.3 41.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.11 98.6 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 4.5 mp -64.86 160.25 20.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 13.9 t70 -157.02 119.06 2.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.79 136.57 39.53 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.339 0.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -35.18 13.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t -69.35 -75.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -143.79 151.52 40.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' H ' HD21 ' A' ' 126' ' ' LEU . 25.0 tp -94.43 102.81 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -75.94 152.18 37.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.39 105.14 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -76.52 126.52 31.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.56 -158.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HB2' HG22 ' A' ' 30' ' ' THR . 54.0 Cg_endo -69.75 161.92 85.17 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.309 0.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -92.36 4.55 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' PRO . 3.3 t -101.81 3.9 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.95 172.03 13.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.17 125.08 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -101.28 151.73 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -132.74 111.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.418 ' CG2' HD11 ' A' ' 23' ' ' LEU . 10.7 m -111.46 128.96 56.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -94.92 120.54 35.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.35 107.89 20.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -80.06 140.44 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 32.5 mt -135.21 104.97 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.44 144.45 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -119.58 98.79 49.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.43 9.18 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB3' ' CG1' ' A' ' 14' ' ' ILE . 24.3 p -59.77 174.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.87 25.62 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 6.1 ptp180 -141.45 146.88 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HD2' HG21 ' A' ' 67' ' ' ILE . 36.1 mtmt -53.86 143.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.61 118.5 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.9 m -77.97 135.31 37.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -131.98 152.86 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 20.0 mtpt -131.36 128.61 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 61' ' ' VAL . 2.6 t -97.07 117.25 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 137.52 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -141.2 155.3 46.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -108.36 88.8 5.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.59 0.709 . . . . 0.0 111.12 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.31 9.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.95 -51.85 5.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.61 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 ttp180 -53.84 -45.19 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 80' ' ' LEU . 5.2 m-85 -105.18 132.05 51.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -123.67 112.36 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 51' ' ' VAL . 60.1 t -102.15 125.45 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 38.6 ttm180 -144.09 121.08 6.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.73 150.61 90.35 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.362 -0.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -72.41 -12.32 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.3 p -173.54 175.02 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.36 -160.36 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 46' ' ' LYS . 50.0 mt -127.75 137.38 57.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD12 HD13 ' A' ' 15' ' ' LEU . 67.3 mt -100.77 120.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.06 148.26 14.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.76 108.83 2.17 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.32 33.18 9.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -137.78 -177.31 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.8 mt -134.28 133.2 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.6 136.87 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 m -109.03 111.88 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 77' ' ' SER . 69.3 t -92.19 152.99 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 76' ' ' VAL . 65.8 m -105.61 109.62 21.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 t -106.6 96.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 32.7 mtm -81.72 128.92 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 59' ' ' TYR . 1.6 tm? -118.94 113.1 20.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.495 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.1 mp0 -62.98 143.3 97.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 128.25 15.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -134.26 173.87 11.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 16.7 p-10 -67.39 87.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -60.54 102.81 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 30.0 m-20 -112.52 92.18 18.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 53.5 Cg_endo -69.87 -31.67 19.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.39 126.4 39.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -77.35 121.86 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -90.55 -178.8 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -126.66 86.73 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 94' ' ' LYS . 8.0 t-80 -132.13 139.26 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -146.13 151.26 37.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.8 t80 -114.69 141.03 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.02 124.35 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -120.36 123.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -99.01 150.55 21.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.442 ' CG2' HD12 ' A' ' 15' ' ' LEU . 57.3 p -149.8 136.79 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.565 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 2.3 tt -156.29 140.15 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -51.58 148.66 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.72 136.08 19.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 157.37 60.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.618 2.212 . . . . 0.0 112.375 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.03 43.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 106' ' ' ILE . 1.4 tt -68.76 119.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -118.45 -44.34 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -123.11 122.63 38.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.11 -51.76 68.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 111' ' ' ALA . 14.2 pt-20 -53.58 -47.11 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 110' ' ' GLU . . . -51.02 -43.46 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.5 t -66.41 -56.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 60.0 m95 -58.67 -27.07 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -73.97 -58.35 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.73 129.16 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -93.01 153.12 41.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.87 22.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.614 2.209 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.93 -13.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -113.47 -13.5 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 mt -78.74 138.15 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 122' ' ' MET . 3.6 mpp? -104.49 134.41 47.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -119.44 164.69 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.1 p -142.12 128.42 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -86.65 122.41 30.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -138.86 136.0 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.609 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -107.21 137.17 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.1 m -97.99 115.71 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.59 136.65 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -101.56 114.76 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.57 143.62 29.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.0 tpt -92.63 133.81 28.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.6 0.715 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.511 HD22 ' N ' ' A' ' 134' ' ' ASN . 1.2 m-80 -69.06 -23.07 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -118.44 35.16 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.08 143.55 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.65 111.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.01 105.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 139' ' ' LEU . 3.4 pp -39.37 155.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -119.88 125.31 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -120.24 115.4 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -167.95 134.63 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -174.75 167.95 40.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -175.23 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.307 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 94.8 p -131.04 -45.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.2 p -99.56 -46.11 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -115.23 115.2 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -124.24 144.28 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.28 -152.21 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -84.61 41.86 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.8 p -89.44 137.47 32.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.47 91.89 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.3 mmm -69.57 105.55 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 115.35 9.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -102.16 125.39 48.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -85.32 99.7 11.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.63 13.11 14.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pm0 -122.86 151.75 41.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -80.44 -28.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.9 mt -86.18 132.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -85.1 99.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.2 mp -74.18 149.28 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.584 ' O ' HD23 ' A' ' 37' ' ' LEU . 6.9 t0 -142.46 118.92 6.95 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 53.7 Cg_endo -69.79 136.99 41.61 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 -1.823 . . . . 0.0 112.37 0.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -31.01 21.78 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.8 -74.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 17.4 p30 -143.94 150.86 39.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD11 ' CG2' ' A' ' 35' ' ' THR . 68.5 tp -88.95 101.74 14.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -81.25 134.31 35.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -107.83 124.18 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -89.0 117.64 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.7 -162.3 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.33 71.34 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.333 0.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 24.7 m-85 -100.54 10.96 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -79.69 12.13 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -166.43 175.06 8.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.77 118.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.0 t -96.44 131.08 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -107.44 109.06 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.533 ' CG2' HD11 ' A' ' 23' ' ' LEU . 28.4 m -116.01 125.51 52.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 24.9 p30 -95.94 139.66 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.1 tt -115.11 113.12 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -81.06 132.92 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 36.7 mt -127.4 104.27 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.94 145.74 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 52.2 t-20 -120.88 98.84 47.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.655 0.74 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.23 4.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.7 p -53.15 152.91 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -94.5 29.41 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.5 ptm180 -151.02 155.57 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.72 160.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.1 t -154.57 120.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.2 m -78.54 147.08 33.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE1' HG13 ' A' ' 68' ' ' ILE . 24.9 p90 -149.66 140.24 22.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HE3' ' CD2' ' A' ' 113' ' ' TRP . 3.4 mtmp? -122.46 125.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.35 113.79 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -140.22 127.76 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 t -126.33 162.23 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -77.38 -11.13 59.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.26 58.72 3.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.562 0.696 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.53 37.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.203 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.07 -21.63 33.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -119.9 21.96 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -144.87 133.17 21.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 m -127.19 94.11 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.776 HG12 HG22 ' A' ' 78' ' ' VAL . 5.1 m -95.09 131.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.0 mtp180 -148.02 121.58 4.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.8 Cg_endo -69.74 168.34 67.77 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.339 -0.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.78 -0.52 21.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.4 p -171.65 145.98 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.91 -162.73 36.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.5 mt -126.73 138.38 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.61 HG23 HG23 ' A' ' 74' ' ' VAL . 68.9 mt -101.58 110.66 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -43.39 148.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.457 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.82 128.34 15.84 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.83 26.91 65.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -135.35 169.5 17.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.23 147.06 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 HG23 ' A' ' 68' ' ' ILE . 22.7 t -124.47 141.6 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 6.6 m -117.38 103.17 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.1 t -86.03 143.01 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.7 m -90.37 101.3 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 HG12 ' A' ' 61' ' ' VAL . 36.6 t -99.84 103.98 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -91.24 135.66 33.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.6 tm? -122.82 113.62 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.494 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.2 mp0 -61.71 142.78 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 125.38 12.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -147.77 154.8 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.14 92.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -84.43 129.2 34.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 122.82 30.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -66.64 -39.39 88.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -107.89 97.6 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -100.25 123.04 44.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 m -83.9 -74.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -165.39 142.21 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 19.3 p-80 -174.89 118.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -156.47 149.07 23.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.6 t80 -118.01 137.26 53.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.3 mtm -128.98 119.76 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -120.0 126.71 75.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -104.18 151.64 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.748 ' CG2' HD12 ' A' ' 15' ' ' LEU . 41.5 p -151.29 144.92 24.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.669 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 tt -156.59 144.1 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -63.15 134.27 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.35 137.26 22.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.19 25.21 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.05 27.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 106' ' ' ILE . 4.9 p30 -96.01 -50.03 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.495 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.4 tt 33.64 51.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 t -40.7 -60.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.793 ' O ' HG23 ' A' ' 112' ' ' VAL . 35.7 m-20 -112.06 143.8 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -49.54 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.21 -52.57 64.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.58 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 108' ' ' ASP . 24.9 t -56.27 -47.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CD2' ' HE3' ' A' ' 50' ' ' LYS . 75.1 m95 -66.76 -38.38 86.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -62.0 -54.28 43.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -62.34 -36.74 83.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.16 119.46 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -86.28 154.4 57.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -2.65 10.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -96.41 -25.66 15.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -103.84 -20.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.669 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.8 mt -69.21 133.9 48.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 26.7 mtm -107.18 122.92 47.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -112.63 171.77 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.8 t -144.04 123.35 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -86.28 119.48 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.2 tt -130.94 134.42 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.637 ' N ' HD23 ' A' ' 126' ' ' LEU . 16.4 ptt180 -106.92 133.71 51.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.17 139.65 30.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.806 HG12 ' OE1' ' A' ' 131' ' ' GLU . 3.1 t -118.49 146.41 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 32.9 m-85 -112.96 111.6 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.806 ' OE1' HG12 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -115.88 159.73 21.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmt -101.38 156.0 35.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -85.13 110.14 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -81.61 134.17 35.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -156.48 179.93 8.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.98 24.36 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 125.47 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.04 -178.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -98.24 150.14 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -141.86 129.44 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.7 p -153.58 126.5 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.39 72.5 0.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.68 21.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -48.87 -56.61 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.5 m -47.09 -66.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -172.13 109.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -55.86 -50.51 70.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.53 158.86 17.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -126.93 90.98 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -117.2 175.98 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.37 -176.26 46.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.3 128.61 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.78 130.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -76.51 105.19 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.533 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -89.96 119.39 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -102.37 79.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -144.0 153.38 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 14' ' ' ILE . 8.4 tp -105.21 14.93 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD12 ' CG2' ' A' ' 99' ' ' THR . 52.0 mt -132.18 131.18 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -92.54 98.57 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.88 150.97 45.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 9.9 t70 -144.44 118.89 5.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.7 137.26 42.8 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.338 -0.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -34.62 14.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.6 m -70.19 -75.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.4 p-10 -143.29 150.11 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.764 ' H ' HD21 ' A' ' 126' ' ' LEU . 35.8 tp -89.66 99.49 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.7 148.7 30.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CD2' HD12 ' A' ' 80' ' ' LEU . 22.5 m-85 -120.44 125.93 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -85.59 116.77 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.53 -162.67 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.78 17.52 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.326 0.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CD2' ' CE ' ' A' ' 132' ' ' MET . 20.2 m-85 -107.32 10.6 29.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.8 p -71.11 -21.6 62.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -137.28 -179.6 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.91 129.89 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 34' ' ' THR . 92.0 t -98.74 155.61 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 33' ' ' VAL . 25.2 m -124.78 113.17 17.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -122.16 119.54 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -91.62 124.33 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.86 105.42 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -79.71 136.23 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -131.09 103.68 6.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -86.81 155.84 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -129.7 98.71 21.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -24.69 29.63 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -69.52 170.68 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.5 24.8 12.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.68 157.49 44.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.52 139.15 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.23 124.55 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 113' ' ' TRP . 7.6 m -79.34 152.43 30.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -152.14 150.48 29.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 11.7 mtpt -134.47 119.88 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 61' ' ' VAL . 1.4 t -81.27 128.24 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -149.88 119.71 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.531 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 9.1 t -119.7 162.17 19.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.526 HG21 ' H ' ' A' ' 94' ' ' LYS . 21.9 p -52.61 -55.65 20.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -74.49 113.9 28.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.19 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' TYR . 32.8 mmt180 -94.96 -54.14 3.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.8 tpp85 -40.61 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CB ' HG21 ' A' ' 53' ' ' THR . 4.3 m-85 -123.6 126.59 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.53 109.82 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.819 HG11 HG11 ' A' ' 51' ' ' VAL . 45.6 t -104.23 128.19 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 33.3 mtt-85 -148.29 124.19 5.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.72 146.26 81.61 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.39 -0.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 39.6 p-10 -79.69 -5.91 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -167.49 163.23 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.99 -178.89 36.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.47 140.92 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.765 HG23 HG23 ' A' ' 74' ' ' VAL . 37.0 mt -104.58 112.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -46.4 151.39 1.0 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.02 4.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.09 53.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -128.41 -179.11 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.39 136.68 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.765 HG23 HG23 ' A' ' 68' ' ' ILE . 20.6 t -112.07 136.94 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -109.27 114.64 28.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.21 137.35 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -92.86 106.04 18.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 61' ' ' VAL . 21.4 t -108.44 100.54 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 mtm -88.36 145.24 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' A' ' 59' ' ' TYR . 1.8 tt -117.58 114.18 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.41 142.84 81.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 115.46 4.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -143.51 154.68 43.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.83 93.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.462 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 18.8 t80 -53.69 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 3.4 m-20 -118.57 92.12 43.21 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 86' ' ' ASP . 54.0 Cg_endo -69.78 -18.45 36.89 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -81.29 -40.69 23.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -101.03 160.48 14.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt 43.3 50.3 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.0 p -82.6 52.56 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.85 61.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.439 ' CE1' ' CE1' ' A' ' 59' ' ' TYR . 2.3 t-160 -117.85 111.05 18.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.526 ' H ' HG21 ' A' ' 54' ' ' THR . 5.1 mtpm? -123.16 171.68 9.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.1 t80 -146.15 127.2 14.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 3.7 mtm -131.53 152.26 50.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.4 t -133.05 147.97 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -110.23 146.51 35.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.493 ' CG2' HD12 ' A' ' 15' ' ' LEU . 60.7 p -145.84 141.01 27.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 tt -159.11 140.71 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -59.56 135.85 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.31 136.49 21.38 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.55 18.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.42 26.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' ILE . 85.0 m-20 -109.68 -67.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.551 HG13 HG21 ' A' ' 112' ' ' VAL . 5.3 tt 37.6 44.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.4 m -54.74 -34.55 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -123.8 93.14 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.3 mtp -43.93 -42.53 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.38 -55.01 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.45 -49.19 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 106' ' ' ILE . 97.3 t -48.3 -54.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 48' ' ' CYS . 79.8 m95 -53.96 -42.09 68.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -53.06 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.3 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.64 127.56 31.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -88.47 154.93 51.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -5.35 15.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.83 -17.89 24.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -111.36 -21.15 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.4 mt -72.79 117.13 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.5 mtm -90.75 161.36 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.21 174.17 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.7 m -140.92 121.41 14.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -83.18 115.25 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 127' ' ' ARG . 7.5 tt -133.92 155.13 50.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 1.034 ' N ' HD23 ' A' ' 126' ' ' LEU . 35.6 ttp180 -126.99 116.51 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.99 124.33 27.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.36 137.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 2.3 m-85 -99.61 105.45 17.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.53 162.29 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 29' ' ' PHE . 3.8 mmt -114.17 151.25 44.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 118.49 5.71 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.7 m120 68.14 50.93 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -109.83 -48.21 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -103.66 136.27 43.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -50.29 164.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -62.96 146.42 53.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 tp -100.03 70.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 140' ' ' ASN . 18.3 t-20 -101.67 100.95 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.03 166.19 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.0 p -160.51 116.28 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -132.34 160.47 23.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.39 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.1 t -143.52 159.19 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.3 t -131.38 115.77 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -46.59 161.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -124.53 128.16 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.26 -163.6 38.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -147.6 164.23 34.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -142.84 177.07 8.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.93 130.08 2.05 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 ttt -55.19 148.55 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.44 116.64 32.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -70.55 120.06 15.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -174.44 164.45 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -155.23 109.18 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -124.28 164.15 20.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.021 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -88.48 -31.89 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.838 HD13 HD12 ' A' ' 68' ' ' ILE . 73.9 mt -91.42 140.31 29.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.15 99.95 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 39' ' ' LEU . 1.9 mm? -66.65 134.03 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 37' ' ' LEU . 15.3 t70 -134.35 117.95 13.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' CG ' ' HA ' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.73 136.69 39.99 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.354 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' CA ' ' O ' ' A' ' 17' ' ' LEU . 53.7 Cg_endo -69.74 -22.01 32.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -89.38 -75.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 3.4 p-10 -141.78 144.72 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.893 HD11 ' CG2' ' A' ' 35' ' ' THR . 44.3 tp -95.0 106.07 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -82.23 140.18 33.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.46 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 65.0 m-85 -112.7 126.63 55.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 114.29 22.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.81 -161.87 1.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.89 38.68 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.388 0.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 45.6 m-85 -102.68 3.66 37.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -70.77 -19.91 62.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -132.89 177.87 7.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.0 129.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 34' ' ' THR . 46.4 t -102.02 157.2 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.466 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.7 m -132.46 113.48 13.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.893 ' CG2' HD11 ' A' ' 23' ' ' LEU . 3.9 m -123.2 121.85 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 75' ' ' THR . 3.8 p30 -94.36 134.46 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.7 tt -118.21 115.46 24.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -84.66 142.84 29.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 17' ' ' LEU . 58.1 mt -136.6 106.38 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -85.12 151.89 23.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 64.5 t30 -129.41 102.53 18.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 54.1 Cg_endo -69.74 -32.94 17.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' HD11 ' A' ' 14' ' ' ILE . 88.0 p -61.31 162.17 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.46 23.17 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 11.0 ptm180 -138.62 151.34 47.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -57.65 152.11 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 14' ' ' ILE . 17.5 t -140.84 131.34 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 109' ' ' MET . 25.2 m -88.05 131.48 34.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' CE1' HG13 ' A' ' 68' ' ' ILE . 39.9 p90 -133.64 153.82 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -137.79 116.33 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.1 130.71 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -159.4 134.68 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 55' ' ' ALA . 7.2 t -135.3 150.05 49.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.8 p -40.58 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -106.41 87.87 2.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -35.06 13.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -94.89 -44.11 7.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.793 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.2 ttm180 -56.7 -30.94 63.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -115.42 136.8 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.9 t -121.46 91.86 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 78' ' ' VAL . 3.0 m -91.46 134.11 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 60.5 ttt180 -151.59 123.07 3.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.1 Cg_endo -69.73 155.28 93.25 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 -1.783 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -90.58 -0.6 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -173.04 154.82 2.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 49' ' ' PHE . . . 164.86 -178.47 39.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.6 mt -109.01 137.1 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.838 HD12 HD13 ' A' ' 15' ' ' LEU . 6.6 mt -99.43 109.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.8 151.19 1.65 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.9 Cg_endo -69.73 126.0 12.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.398 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.15 42.12 68.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 m -145.2 162.13 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.08 129.51 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.536 HG21 HG12 ' A' ' 68' ' ' ILE . 57.8 t -111.59 136.93 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 36' ' ' ASN . 3.4 m -112.44 114.94 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -95.8 134.82 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.4 m -80.64 96.52 6.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 61' ' ' VAL . 10.4 t -96.19 93.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -86.3 149.5 25.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.592 HD21 ' HE2' ' A' ' 83' ' ' PHE . 2.4 tt -124.6 116.36 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.76 142.69 98.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 138.01 36.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HE2' HD21 ' A' ' 80' ' ' LEU . 11.7 p90 -154.79 164.02 39.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 18.7 p-10 -65.13 85.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -50.89 107.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -101.67 115.18 65.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -15.81 37.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -83.95 -25.77 29.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -99.46 63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -95.67 161.99 13.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t 54.64 39.67 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -120.62 38.74 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.697 ' CE1' ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -173.2 163.77 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -160.05 175.02 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -138.46 117.21 12.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 12.5 mtm -120.99 125.24 46.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 136.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -100.73 141.33 33.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.2 p -144.17 140.3 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.574 HG22 ' CH2' ' A' ' 113' ' ' TRP . 5.7 tt -153.45 147.01 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CZ ' HG13 ' A' ' 14' ' ' ILE . 18.1 m-85 -65.32 141.26 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.63 28.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 159.15 54.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.82 29.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -124.96 18.32 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.0 tt -39.59 127.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.7 t -119.39 -61.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -124.09 119.51 29.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.401 ' HE2' ' HB3' ' A' ' 48' ' ' CYS . 3.5 mtt -46.54 -52.91 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.98 -38.92 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.76 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.94 -57.43 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.574 ' CH2' HG22 ' A' ' 100' ' ' ILE . 98.0 m95 -59.21 -37.83 78.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -63.04 -50.18 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.64 -32.72 71.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.55 136.21 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -88.82 152.63 49.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.2 30.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.42 -20.68 18.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -100.76 -21.71 15.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.93 132.76 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 57.9 mtm -102.74 156.78 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.27 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -138.87 122.17 17.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.75 112.09 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.5 tt -134.57 125.93 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.658 ' N ' HD23 ' A' ' 126' ' ' LEU . 29.5 ttm180 -98.33 130.39 45.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 93' ' ' HIS . 48.2 m -87.72 134.4 33.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 74.5 t -117.82 129.76 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.697 ' CZ ' ' CE1' ' A' ' 93' ' ' HIS . 43.8 m-85 -87.95 109.24 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -111.15 162.19 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.6 mtp -135.13 146.31 57.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.52 0.676 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -120.75 148.22 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.89 137.14 58.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 136' ' ' ASN . 3.4 p-10 -116.3 152.48 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -128.35 15.37 6.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -94.43 152.01 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.7 tp -113.11 147.61 36.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.89 145.99 35.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.83 137.35 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.4 p -120.69 166.26 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -166.9 158.07 30.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 178.34 4.62 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t -165.37 173.71 10.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.2 t -63.53 87.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -55.67 143.35 30.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -128.72 -54.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.13 92.94 2.15 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -77.89 128.63 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -63.01 150.61 42.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.9 125.11 38.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpp? 38.55 47.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.99 142.32 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -126.43 67.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 58.66 47.87 12.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.9 36.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -83.51 120.23 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tp -66.92 -37.92 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -90.76 131.33 36.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.6 t -90.77 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.05 156.67 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.637 ' O ' HD23 ' A' ' 37' ' ' LEU . 19.9 m-20 -148.79 118.4 4.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.72 40.26 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -34.29 14.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 m -71.83 -75.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.11 151.83 40.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD23 ' HE1' ' A' ' 25' ' ' PHE . 31.0 tp -95.62 101.39 13.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -85.9 138.5 31.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.434 ' HE1' HD23 ' A' ' 23' ' ' LEU . 15.8 m-85 -111.44 129.7 55.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -90.96 119.31 31.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.94 -161.13 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.93 88.92 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.349 0.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 66.9 m-85 -93.24 12.75 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t -79.93 12.08 2.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.165 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -167.12 170.25 12.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 81' ' ' GLN . 67.8 t -55.5 121.68 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.27 142.64 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -115.06 129.42 56.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.8 m -130.36 123.03 28.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 122.62 33.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -104.72 108.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -79.74 129.01 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 mt -120.97 103.69 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 73' ' ' ILE . 9.8 tt0 -85.93 137.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -117.03 98.86 52.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -34.97 13.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -58.02 159.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -106.85 42.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 146.44 15.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -47.36 140.5 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 101' ' ' PHE . 29.5 t -140.82 122.74 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 67.8 m -79.72 157.05 27.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -156.53 136.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 12.1 mtmt -119.68 123.22 43.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 61' ' ' VAL . 1.9 t -86.82 106.07 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -129.0 129.45 45.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.614 HG23 ' H ' ' A' ' 55' ' ' ALA . 14.4 t -141.2 163.64 32.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.418 ' H ' HG23 ' A' ' 54' ' ' THR . 2.2 p -66.88 -5.63 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.614 ' H ' HG23 ' A' ' 53' ' ' THR . . . -109.8 83.16 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.698 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -95.92 -46.31 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 48.0 mtt85 -54.26 -37.94 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -112.4 131.52 55.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.1 t -122.54 92.04 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG11 HG11 ' A' ' 51' ' ' VAL . 38.3 t -87.12 130.87 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 2.4 mmt180 -147.01 121.84 5.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.5 Cg_endo -69.78 152.61 92.51 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.367 0.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -84.95 -4.28 59.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -172.08 172.83 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.81 -169.13 31.22 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.2 mt -122.04 140.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.4 HD12 HD13 ' A' ' 15' ' ' LEU . 84.1 mt -102.04 117.02 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.2 153.66 1.62 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 111.23 2.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.52 38.61 12.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 m -139.75 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.537 HD11 ' NE2' ' A' ' 40' ' ' GLN . 85.4 mt -121.53 135.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.34 136.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 m -107.34 104.13 13.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.6 t -87.51 136.94 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -96.6 107.02 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.16 94.18 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -79.64 98.05 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.2 tm? -88.39 116.02 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.659 ' OE1' HG22 ' A' ' 32' ' ' VAL . 22.3 mm-40 -65.56 157.18 79.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HD2' ' OE1' ' A' ' 81' ' ' GLN . 53.7 Cg_endo -69.76 150.09 67.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.2 159.8 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.63 103.29 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -65.83 112.47 3.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.96 129.46 24.48 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.642 0.734 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -36.43 10.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 88' ' ' ASN . 14.2 t30 -98.61 27.91 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' OE2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -41.8 -32.24 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' N ' ' OE2' ' A' ' 89' ' ' GLU . 32.3 tttm 33.74 45.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -100.18 -176.16 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -124.83 41.35 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -75.1 137.36 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -145.09 172.74 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -145.52 117.25 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 20.5 mtm -121.78 138.01 54.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.95 129.42 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -99.71 147.32 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.3 p -150.31 144.89 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 tt -159.33 137.83 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.647 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.8 m-85 -48.54 148.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -111.88 133.34 21.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 159.38 53.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.12 3.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -86.93 14.48 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 112' ' ' VAL . 2.8 tt -39.28 103.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 t -91.05 -70.23 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.73 126.52 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -16.46 63.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -91.24 -29.19 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.97 85.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 106' ' ' ILE . 94.9 t -52.84 -46.23 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.514 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 86.5 m95 -68.19 -37.67 81.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -64.01 -59.22 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -58.65 -39.66 81.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.3 135.2 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -96.13 155.33 38.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -2.72 10.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.59 -11.67 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.74 -10.21 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.59 131.89 39.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -104.39 121.65 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 124' ' ' SER . 8.5 t70 -119.1 166.07 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 3.6 m -141.93 147.26 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -100.46 112.49 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.4 tt -127.8 129.36 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.456 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.4 ptm180 -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.56 117.78 20.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.04 145.1 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 8.8 m-85 -111.85 114.15 26.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -113.44 162.53 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 80.1 mmm -108.92 152.8 42.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -11.85 31.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -99.77 132.46 45.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.69 159.72 41.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -71.58 116.32 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.96 161.46 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -103.74 149.33 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.38 -57.55 12.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -143.99 134.91 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -123.8 111.99 16.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.2 t -86.27 100.16 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -112.35 151.03 18.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 145' ' ' SER . 53.7 Cg_endo -69.72 -14.64 36.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 144' ' ' PRO . 64.3 p -34.96 140.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.5 t -71.59 -43.34 66.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -149.46 129.48 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -64.38 140.15 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.2 76.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -149.46 128.81 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.4 p -174.17 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.14 -126.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mmt -94.28 -24.46 17.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.04 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -100.63 -49.91 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -128.17 125.18 38.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -111.65 40.37 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 4.5 pt20 -98.45 165.48 11.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.524 HD11 ' HB3' ' A' ' 43' ' ' SER . 9.0 tp -79.97 -34.3 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 99' ' ' THR . 12.5 mt -95.99 106.13 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 40' ' ' GLN . 2.4 p -83.43 111.08 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 6.1 mp -71.28 167.28 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -153.13 117.33 2.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.29 38.01 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.36 -0.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -35.0 13.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 m -68.37 -76.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.46 155.4 43.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' H ' HD21 ' A' ' 126' ' ' LEU . 40.3 tp -98.44 111.7 23.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -88.25 139.03 30.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.531 ' CD2' ' OG1' ' A' ' 35' ' ' THR . 37.0 m-85 -112.61 114.56 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -81.06 120.98 25.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.01 -160.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 161.42 86.26 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.34 0.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 38.1 m-85 -95.33 33.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.4 p -103.44 -34.65 8.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -120.03 177.75 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.58 124.67 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.81 138.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.7 m -109.97 113.22 25.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.531 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 85.8 m -116.72 119.95 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 1.6 m-20 -94.16 121.87 36.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.76 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -84.07 129.68 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 53.9 mt -120.74 103.55 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.601 ' HB3' HG13 ' A' ' 16' ' ' VAL . 42.8 tt0 -86.85 154.79 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -134.43 98.69 13.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' HG12 ' A' ' 16' ' ' VAL . 53.8 Cg_endo -69.78 -15.81 37.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' ' 14' ' ' ILE . 53.2 p -75.93 172.99 11.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.95 32.5 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 101' ' ' PHE . 17.1 ptp180 -153.19 141.6 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -40.71 153.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 15' ' ' LEU . 62.6 t -145.94 130.04 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 80.6 m -88.66 126.24 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -128.19 132.49 48.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 22.1 mtmt -120.39 114.84 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 61' ' ' VAL . 20.1 t -77.43 106.09 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -109.99 118.68 37.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t -141.13 141.09 34.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -83.94 23.36 1.03 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.97 63.23 55.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -73.4 -35.39 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -83.35 -56.25 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 5.5 m-85 -97.89 141.45 30.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.1 m -126.56 100.05 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG11 HG11 ' A' ' 51' ' ' VAL . 65.2 t -88.97 129.47 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.444 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 7.4 tpt180 -152.06 121.11 3.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.79 156.22 92.96 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.323 0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -67.97 -25.86 65.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 p -171.87 174.26 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.27 -157.22 29.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.4 mt -122.63 142.07 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 55.9 mt -106.01 124.7 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.97 151.53 55.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.18 10.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.93 33.74 65.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.6 m -137.85 170.97 15.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.4 mt -125.5 133.75 68.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.03 134.97 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.9 m -107.02 104.55 14.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -84.67 151.13 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -98.76 98.85 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.4 95.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mtm -84.03 153.45 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 81' ' ' GLN . 5.3 tt -134.77 122.71 22.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.501 ' O ' HD23 ' A' ' 80' ' ' LEU . 4.8 mp0 -66.24 142.08 97.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.558 0.694 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.87 24.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -151.37 169.51 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.84 111.1 5.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.86 124.32 20.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 89' ' ' GLU . 20.9 m-20 -116.94 92.15 38.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -32.27 18.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -99.47 34.36 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HB3' ' CB ' ' A' ' 86' ' ' ASP . 9.8 tp10 -134.39 134.13 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -73.35 140.47 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -102.31 136.16 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -100.85 -44.53 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.97 145.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -137.92 164.74 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -125.16 113.75 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -118.0 146.28 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -139.8 121.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.6 138.93 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 15' ' ' LEU . 36.9 p -137.94 140.43 40.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 tt -151.36 137.4 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 14' ' ' ILE . 44.8 m-85 -50.55 143.65 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -109.87 145.18 31.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.2 66.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -31.77 19.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -103.69 28.34 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 tt -45.86 126.55 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -115.96 -61.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.0 t0 -105.65 113.01 26.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.59 -55.83 29.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 10.0 pt-20 -51.92 -51.4 57.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 108' ' ' ASP . . . -49.49 -45.94 47.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 108' ' ' ASP . 92.2 t -52.54 -60.03 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 87.6 m95 -50.03 -44.19 51.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.2 -58.51 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -55.6 -37.08 67.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.03 133.2 15.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.34 155.5 38.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.54 -19.65 27.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -109.07 -26.47 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.64 133.66 49.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 3.0 ptp -127.63 132.02 49.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.94 167.38 10.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -131.39 121.45 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.96 106.83 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -119.84 131.46 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.523 ' N ' HD23 ' A' ' 126' ' ' LEU . 24.7 ttm180 -105.81 120.75 42.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 78.2 m -78.72 132.12 36.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.77 127.93 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 46.9 m-85 -90.27 112.49 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.544 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 25.4 mt-10 -100.97 148.08 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 ttm -131.15 128.95 22.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 98.29 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -141.42 -176.73 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -88.32 111.71 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.31 151.7 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.62 175.2 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -81.18 99.0 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.0 tt -103.1 108.52 19.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -156.45 129.66 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -129.76 87.27 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.1 p -129.11 105.84 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.45 -157.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.42 5.33 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.9 m -161.37 163.39 30.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.1 p -76.33 167.5 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -133.51 -55.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -49.01 -51.19 32.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 133.02 11.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -142.18 159.16 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 p -170.85 142.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.7 -128.56 6.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mtt 42.42 42.62 2.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.23 114.74 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 39.47 42.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -109.5 41.86 1.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.01 9.76 6.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 155.83 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 15' ' ' LEU . 5.8 tp -84.35 -43.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 mt -83.74 125.17 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.5 t -86.41 101.84 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD23 ' A' ' 39' ' ' LEU . 5.8 mp -68.68 165.73 18.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 29.5 m-20 -153.9 117.69 2.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.68 39.89 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.355 -0.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -31.97 19.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.722 2.282 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -73.79 -75.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 11.0 p-10 -144.12 151.6 39.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' H ' HD21 ' A' ' 126' ' ' LEU . 21.0 tp -99.15 108.35 20.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -86.84 141.5 28.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' HD23 ' A' ' 23' ' ' LEU . 16.9 m-85 -111.53 122.71 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -85.45 112.64 21.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.09 -161.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.3 92.84 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.322 0.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 130' ' ' PHE . 27.1 m-85 -90.02 28.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.5 p -96.34 -36.55 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.97 174.64 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.79 121.54 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.53 149.14 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -122.51 110.07 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.484 ' CG2' HD11 ' A' ' 23' ' ' LEU . 93.8 m -116.28 121.79 43.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' HB3' ' CG2' ' A' ' 75' ' ' THR . 11.6 m-20 -91.96 121.4 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -103.05 114.36 28.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 18' ' ' ASP . 27.9 mttt -81.74 147.03 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 17' ' ' LEU . 13.4 mt -141.04 105.9 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.64 153.93 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 50.2 t-20 -124.47 98.72 37.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.575 0.703 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.6 Cg_endo -69.78 -21.54 33.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.7 p -81.22 156.95 25.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -100.04 35.54 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 47' ' ' VAL . 17.0 ptp180 -152.65 130.46 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HD3' HG21 ' A' ' 67' ' ' ILE . 47.9 mttt -36.67 147.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 45' ' ' ARG . 93.8 t -143.51 122.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -76.15 135.9 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -133.07 131.25 40.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 10.6 mmtt -114.04 128.31 56.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG21 ' A' ' 61' ' ' VAL . 30.7 t -87.23 123.87 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -142.84 133.1 24.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.6 t -136.3 149.78 48.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 49.2 p -53.26 -28.5 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.7 73.46 1.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.93 33.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -95.74 -26.5 15.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 58' ' ' ARG . 22.6 ttm105 -107.28 36.1 2.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.756 ' CE1' HD23 ' A' ' 80' ' ' LEU . 5.6 m-85 -153.2 139.38 18.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.7 t -123.96 101.42 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 51' ' ' VAL . 99.2 t -104.2 132.37 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 41.3 ttt-85 -152.31 122.29 3.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.717 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.6 Cg_endo -69.81 150.77 90.81 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.3 0.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.01 -28.59 70.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 p -172.58 156.34 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.6 -157.52 18.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.457 HG21 ' HD3' ' A' ' 46' ' ' LYS . 55.4 mt -124.07 143.63 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 74' ' ' VAL . 56.9 mt -108.96 112.33 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -48.11 152.18 1.54 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.648 0.737 . . . . 0.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 122.65 9.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.21 39.03 24.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -146.72 169.06 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.1 mt -125.14 133.53 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.498 HG23 HG23 ' A' ' 68' ' ' ILE . 92.8 t -113.34 135.06 54.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 11.6 m -105.51 103.67 13.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.17 137.19 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 m -86.52 120.91 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.92 98.84 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -90.28 122.99 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.756 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -108.35 113.69 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.548 ' N ' HD22 ' A' ' 80' ' ' LEU . 3.5 mp0 -59.38 141.05 87.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.19 64.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.39 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -160.45 171.32 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -66.83 86.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.6 102.02 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.56 113.2 45.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.565 0.698 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.87 1.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -48.74 -47.44 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.07 127.21 31.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -43.9 121.3 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 p -86.94 121.25 29.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -115.99 100.32 7.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 128' ' ' CYS . 14.3 p-80 -171.4 150.11 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -161.91 157.36 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.11 121.14 44.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -118.61 103.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.7 t -97.41 132.6 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -98.76 146.65 25.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.8 p -148.55 129.24 14.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.2 tt -141.98 140.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' HZ ' HD13 ' A' ' 14' ' ' ILE . 35.6 m-85 -58.14 139.13 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.56 139.33 20.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.551 0.691 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 157.88 58.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.377 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.13 26.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -104.96 19.27 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.5 tt -41.74 123.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 t -122.9 -69.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.672 ' HB2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 m-20 -87.89 92.72 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -48.31 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 108' ' ' ASP . . . -54.25 -44.24 71.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.72 -53.33 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 50' ' ' LYS . 16.2 m95 -54.57 -41.9 70.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -64.04 -55.97 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -56.75 -39.01 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.71 123.29 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -86.81 155.29 55.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.22 29.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -77.31 -23.46 51.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -103.48 -26.8 12.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.58 123.0 18.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.3 mtm -98.39 148.98 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 175.71 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -139.03 134.09 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -93.91 106.85 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.9 tt -122.88 135.76 54.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.61 ' N ' HD23 ' A' ' 126' ' ' LEU . 7.5 ptp180 -103.12 132.44 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 93' ' ' HIS . 84.3 m -92.02 131.21 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 93.6 t -114.29 114.22 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.467 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 17.7 m-85 -87.51 107.67 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -107.84 164.38 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.8 mtp -120.4 154.36 56.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.43 6.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -139.44 105.36 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 62.11 51.99 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -84.79 50.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -159.44 128.02 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 140' ' ' ASN . 0.0 OUTLIER -122.88 85.86 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 139' ' ' LEU . 3.0 tt 34.09 33.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 138' ' ' LYS . 6.3 p-10 -117.4 129.58 55.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -136.01 128.35 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 74.8 m -94.98 125.46 39.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.22 151.23 45.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.08 32.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.4 p -159.73 163.95 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.1 t -109.77 166.21 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -54.65 110.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -89.87 -53.65 4.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.91 51.08 1.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -68.72 163.99 22.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -100.71 89.88 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.4 147.18 18.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ptp -130.63 97.57 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.96 150.71 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 3.0 mppt? -122.4 96.71 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 4.6 p80 -93.95 133.34 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -108.82 49.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -134.05 170.95 14.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.705 HD11 ' HB3' ' A' ' 43' ' ' SER . 2.0 tp -81.05 -22.79 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD13 HD12 ' A' ' 68' ' ' ILE . 43.7 mt -94.99 177.13 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.45 113.63 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD13 HD21 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.55 151.55 36.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 37' ' ' LEU . 11.4 t0 -149.64 116.4 3.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.6 Cg_endo -69.75 137.43 43.79 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.332 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -33.85 15.53 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.7 m -72.04 -75.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -143.76 148.09 35.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 35' ' ' THR . 47.5 tp -92.26 103.27 15.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.93 139.18 41.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -116.22 116.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -81.71 121.92 26.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.08 -158.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.89 65.85 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.348 0.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 130' ' ' PHE . 33.6 m-85 -99.68 11.61 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -97.06 -17.19 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 12.7 t0 -135.22 178.13 7.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.07 133.13 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 34' ' ' THR . 59.5 t -103.59 162.97 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.598 ' N ' HG12 ' A' ' 33' ' ' VAL . 18.6 m -133.8 113.18 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD11 ' A' ' 23' ' ' LEU . 17.7 m -126.83 121.02 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -94.09 129.53 40.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -112.39 114.48 27.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -87.4 147.82 25.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.613 HD21 HD13 ' A' ' 17' ' ' LEU . 10.7 mt -138.76 107.18 5.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.78 148.2 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' OD1' ' CD2' ' A' ' 15' ' ' LEU . 50.4 t30 -128.49 98.79 24.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.575 0.703 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 41' ' ' ASN . 53.7 Cg_endo -69.75 -30.93 21.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.705 ' HB3' HD11 ' A' ' 14' ' ' ILE . 95.2 p -64.16 158.07 23.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -105.13 34.98 2.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.9 ptt180 -148.27 137.56 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -45.73 138.74 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 45' ' ' ARG . 87.0 t -133.73 125.05 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.34 147.42 27.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -148.21 141.27 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -122.15 111.31 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 HG11 ' A' ' 61' ' ' VAL . 15.3 t -77.32 105.9 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -128.24 127.19 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 55' ' ' ALA . 2.8 t -126.78 153.35 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.8 p -64.77 -20.46 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -112.12 73.34 1.28 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.83 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -80.5 -1.01 39.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.609 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.8 ttp180 -114.11 -15.91 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.31 132.45 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -112.25 95.31 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.74 HG22 HG13 ' A' ' 78' ' ' VAL . 83.6 t -97.9 132.72 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.1 ttt85 -152.43 121.92 3.38 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.9 Cg_endo -69.72 161.15 86.65 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.36 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -84.27 -16.65 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 p -164.99 167.04 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.23 -166.09 35.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 26.1 mt -124.03 142.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.537 HD12 HD13 ' A' ' 15' ' ' LEU . 54.1 mt -103.13 118.11 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.41 147.86 2.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.712 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 54.2 Cg_endo -69.75 107.24 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.8 36.66 6.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.0 m -146.35 168.49 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.8 mt -119.59 134.2 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 68' ' ' ILE . 25.0 t -110.93 136.46 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -110.91 104.13 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 77' ' ' SER . 40.7 t -87.8 157.02 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' VAL . 64.8 m -103.69 122.95 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 61' ' ' VAL . 5.2 t -126.41 95.21 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 mtm -89.35 133.53 34.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tt -100.46 121.81 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.28 144.79 87.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.688 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.74 128.33 15.89 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -149.42 165.9 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.45 99.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -58.13 107.49 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -118.47 92.23 43.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.701 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.62 25.12 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -64.7 -35.42 80.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -71.78 131.77 43.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 110.75 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -63.28 147.39 51.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 25.55 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -111.66 157.88 19.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -146.85 163.13 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.448 ' CE2' ' HB ' ' A' ' 53' ' ' THR . 1.8 t80 -125.46 126.37 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 33.9 mtm -133.46 134.86 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.38 142.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.74 133.89 52.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.2 p -138.34 136.04 35.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.449 ' HA ' ' CE ' ' A' ' 122' ' ' MET . 2.3 tt -153.1 139.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HG12 ' A' ' 14' ' ' ILE . 57.3 m-85 -50.05 153.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.08 138.13 19.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 167.74 23.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.69 27.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' SER . 91.5 m-20 -107.78 13.7 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 106' ' ' ILE . 4.1 tp -37.2 94.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' ASN . 2.9 m -119.33 -49.29 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -102.49 96.66 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 58.6 mmm -50.48 -56.86 9.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.74 -46.02 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.0 -42.83 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.56 -55.5 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -57.28 -33.44 67.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -65.65 -55.49 17.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -63.47 -37.66 88.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 130.75 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -93.89 153.78 40.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.33 15.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.08 -21.47 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -107.0 -27.73 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 128.56 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 100' ' ' ILE . 23.7 mtm -99.67 146.23 26.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.74 165.12 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -131.99 116.5 17.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -84.44 114.89 22.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.774 ' C ' HD23 ' A' ' 126' ' ' LEU . 2.4 tt -143.48 131.85 22.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.461 ' N ' HD23 ' A' ' 126' ' ' LEU . 22.3 ttm105 -104.07 137.64 41.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 58.7 m -83.53 135.77 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.55 121.03 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -87.55 113.56 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -105.81 147.45 28.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 6.5 tpt -84.99 134.25 41.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -53.96 -19.26 4.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -123.08 75.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -45.59 -42.19 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -149.88 134.33 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' LEU . 11.4 tttm -91.06 134.39 34.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' LYS . 15.5 mt -36.81 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -136.5 173.39 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.68 146.57 50.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 91.5 p -47.46 175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -131.3 175.28 19.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -16.21 37.4 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -97.85 96.2 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -133.12 169.35 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 p -169.4 175.41 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -159.86 129.57 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.84 84.61 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -130.21 125.95 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.352 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -155.97 154.8 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.19 107.01 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -82.21 132.1 35.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.61 167.48 22.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -144.18 122.38 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -144.55 -179.44 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -122.71 34.43 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 15' ' ' LEU . 13.3 tt0 -80.06 138.72 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -99.61 -35.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HB2' HG21 ' A' ' 99' ' ' THR . 12.0 mt -95.18 124.09 39.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 40' ' ' GLN . 3.4 m -89.13 143.17 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 17' ' ' LEU . 5.0 mp -108.75 163.74 13.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 24.5 t70 -148.34 117.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 18' ' ' ASP . 53.7 Cg_endo -69.79 136.81 40.69 Favored 'Cis proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.315 0.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -33.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -68.23 -77.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -144.13 153.77 42.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 126' ' ' LEU . 27.4 tp -90.61 111.46 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' CD ' ' HB ' ' A' ' 129' ' ' VAL . 1.3 mmmm -89.76 140.17 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -117.52 129.76 56.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -89.78 109.42 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.22 -162.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 175.2 37.44 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.741 -1.775 . . . . 0.0 112.304 0.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 131' ' ' GLU . 23.7 m-85 -103.05 15.01 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -87.93 -5.86 58.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -144.46 162.64 36.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.55 119.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -99.43 145.03 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 126.43 50.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -129.0 139.93 51.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -104.21 128.87 51.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.87 104.19 12.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -75.76 135.61 40.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 20.4 mt -127.96 103.83 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 36.5 tt0 -88.08 145.31 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.452 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 47.7 t-20 -115.74 98.87 51.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HD2' HD23 ' A' ' 15' ' ' LEU . 53.9 Cg_endo -69.74 -31.11 21.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.5 p -61.37 166.29 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -102.35 19.98 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -145.51 163.43 34.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 24.0 mtpt -62.89 148.44 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.458 ' HB ' HD11 ' A' ' 15' ' ' LEU . 47.8 t -140.47 121.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 85.3 m -75.08 125.76 29.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 68' ' ' ILE . 35.7 p90 -117.35 136.01 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HG2' ' CZ2' ' A' ' 113' ' ' TRP . 23.6 mmtt -120.17 121.93 39.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 61' ' ' VAL . 6.4 t -97.61 112.84 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -148.88 127.19 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' ' 95' ' ' PHE . 4.0 t -119.98 168.48 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -77.0 -15.8 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.93 62.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.36 26.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.04 -18.87 64.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -124.44 23.74 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -146.4 123.98 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.5 m -123.53 92.17 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 51' ' ' VAL . 95.3 t -90.21 136.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 22.7 ttm180 -148.26 121.08 4.6 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.627 0.727 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.4 Cg_endo -69.82 155.29 93.49 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.333 0.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -80.94 -19.92 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.57 161.81 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.48 -162.41 35.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 71.3 mt -115.5 144.53 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 49' ' ' PHE . 66.1 mt -112.19 114.18 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -48.7 151.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.67 21.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.626 2.218 . . . . 0.0 112.305 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.5 38.29 95.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -139.01 170.97 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.8 mt -124.42 134.1 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 HG12 ' A' ' 68' ' ' ILE . 21.6 t -112.74 136.26 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -105.72 99.92 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.1 t -86.07 137.37 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 m -92.36 106.89 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 61' ' ' VAL . 48.3 t -99.57 94.55 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -77.7 126.94 31.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 81' ' ' GLN . 1.4 tm? -115.86 113.02 22.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' N ' HD22 ' A' ' 80' ' ' LEU . 12.3 mm-40 -66.44 156.66 85.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.728 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 141.66 45.75 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.04 161.23 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -77.46 110.19 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' CE1' ' HB2' ' A' ' 130' ' ' PHE . 1.7 t80 -105.36 118.08 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -118.55 117.59 34.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.58 30.53 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -52.3 -45.76 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.76 142.75 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 tttp -50.02 147.82 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.2 p -49.26 118.79 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -126.04 47.13 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -148.25 135.95 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.08 153.76 35.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.414 ' HZ ' HG21 ' A' ' 61' ' ' VAL . 4.8 t80 -133.39 115.92 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -102.9 132.5 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.7 t -122.84 126.43 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -102.97 138.95 39.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.495 HG21 ' HB2' ' A' ' 15' ' ' LEU . 53.3 p -140.36 137.11 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.46 ' CG2' ' CZ3' ' A' ' 113' ' ' TRP . 4.3 tt -157.5 136.56 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -51.31 155.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 137.75 20.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.504 0.669 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.49 53.25 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -44.65 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.85 29.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.7 tt -54.29 112.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.6 m -111.33 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' MET . 8.4 m-20 -96.6 88.72 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -37.73 -53.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 111' ' ' ALA . 2.8 pp20? -53.57 -52.39 59.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.443 ' N ' ' CD ' ' A' ' 110' ' ' GLU . . . -45.02 -50.17 10.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.7 t -44.45 -54.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CZ3' ' CG2' ' A' ' 100' ' ' ILE . 55.7 m95 -57.43 -41.25 80.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -60.27 -59.22 5.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.28 -36.94 69.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.82 133.66 6.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -91.33 151.2 42.57 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.75 29.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.742 2.294 . . . . 0.0 112.331 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' C ' ' OE1' ' A' ' 120' ' ' GLU . 3.8 m-20 -98.53 -18.08 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -103.07 -18.3 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.83 125.95 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -91.96 129.41 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.43 157.86 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -138.86 127.57 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.2 116.25 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.6 tt -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 126' ' ' LEU . 67.7 ttt180 -101.13 137.33 39.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.8 m -100.4 123.49 44.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.477 ' HB ' ' CD ' ' A' ' 24' ' ' LYS . 20.2 t -95.12 129.03 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.488 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 27.7 m-85 -97.83 108.94 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 7.9 mt-10 -105.01 167.15 9.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 mtp -135.86 135.25 21.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.695 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 150.86 68.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -105.51 128.83 53.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -79.86 89.76 5.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -106.33 171.23 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -125.6 119.5 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.53 136.9 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 13.9 tp -84.89 109.52 18.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -110.36 109.51 19.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.3 109.11 6.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.8 m -163.79 176.82 9.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -56.66 -158.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.4 m -88.68 -62.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.2 t 58.34 39.78 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -67.54 99.62 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -158.6 157.24 31.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.66 134.55 3.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -163.25 175.97 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -127.77 177.07 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.01 122.07 2.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -142.62 132.13 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.17 126.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -89.95 29.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -76.27 136.92 39.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -130.17 134.63 47.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -153.73 151.04 29.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.9 tp -79.73 -36.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 HD12 ' A' ' 68' ' ' ILE . 10.0 mt -85.7 120.19 26.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.33 104.17 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 39' ' ' LEU . 5.7 mp -70.08 163.1 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -147.02 117.12 4.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.554 0.692 . . . . 0.0 110.846 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 54.1 Cg_endo -69.75 136.97 41.38 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.24 29.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -83.48 -76.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -144.67 154.54 42.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.7 HD11 ' CG2' ' A' ' 35' ' ' THR . 57.6 tp -96.11 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -96.58 139.83 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 23' ' ' LEU . 69.7 m-85 -117.68 105.95 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -73.09 119.45 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.33 -160.39 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.19 86.62 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.341 0.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 130' ' ' PHE . 34.2 m-85 -91.05 2.46 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -58.81 -23.07 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' CA ' ' HB3' ' A' ' 82' ' ' PRO . 5.1 t0 -136.21 -174.72 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.99 128.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 34' ' ' THR . 42.2 t -100.2 156.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 4.3 m -117.12 105.81 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.7 ' CG2' HD11 ' A' ' 23' ' ' LEU . 82.0 m -110.93 129.37 55.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -103.18 120.36 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 18' ' ' ASP . 1.5 tt -103.46 104.11 14.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 73' ' ' ILE . 43.0 mtpt -79.28 145.54 33.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 16.9 mt -131.01 106.13 8.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.23 148.9 24.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -126.85 98.8 30.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.78 34.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -70.19 162.08 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -101.8 25.78 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' N ' ' HB3' ' A' ' 70' ' ' PRO . 9.4 ptp85 -146.01 157.76 43.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -61.14 155.67 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.07 125.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 102' ' ' ALA . 23.0 m -80.01 139.56 36.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.1 137.77 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 26.6 mtmt -127.44 121.94 32.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.58 HG21 HG11 ' A' ' 61' ' ' VAL . 16.4 t -78.05 127.15 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -147.08 119.61 8.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -136.8 167.34 21.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.8 p -63.97 -14.28 52.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 58' ' ' ARG . . . -115.45 80.06 7.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -88.33 -58.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 6.2 ttt180 -38.74 -37.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CE1' HD23 ' A' ' 80' ' ' LEU . 8.4 m-85 -105.32 152.92 22.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.4 m -127.18 92.0 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG11 HG21 ' A' ' 51' ' ' VAL . 97.2 t -91.34 128.68 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 25.7 mtp180 -146.97 123.04 5.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.636 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 54.0 Cg_endo -69.76 156.26 92.88 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.347 0.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.19 -15.7 58.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.1 p -172.03 163.79 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.89 -159.89 32.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mt -129.28 144.97 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 HD13 ' A' ' 15' ' ' LEU . 45.6 mt -108.02 123.06 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -52.71 157.23 2.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 45' ' ' ARG . 53.3 Cg_endo -69.79 121.63 8.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.61 39.73 67.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.0 m -138.87 164.95 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 38' ' ' LYS . 59.7 mt -119.44 132.86 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 68' ' ' ILE . 88.4 t -113.97 127.74 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.92 109.89 21.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.6 t -87.36 145.12 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 m -99.93 102.78 14.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -105.94 91.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -82.17 111.33 18.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 59' ' ' TYR . 1.4 tm? -94.13 111.65 23.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.492 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mm100 -66.32 155.89 86.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.487 ' HB3' ' CA ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.74 134.46 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 1.1 p90 -161.74 119.13 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -57.02 81.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 87' ' ' PRO . 1.4 p90 -68.81 127.71 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 9.7 m-20 -115.45 103.85 53.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.559 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -25.47 28.57 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -90.5 -29.16 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -84.47 -23.33 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.13 139.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 m -126.6 79.9 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -135.35 105.51 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 0.3 OUTLIER -162.38 129.16 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -158.87 160.59 36.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -143.31 120.98 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -118.88 148.02 43.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.6 t -133.16 131.44 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.62 125.43 50.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 p -128.53 144.28 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 121' ' ' LEU . 2.7 tt -159.69 139.74 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -52.88 145.69 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 48' ' ' CYS . . . -106.94 133.47 20.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.32 57.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -35.34 12.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -95.88 25.05 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 106' ' ' ILE . 2.2 tt -51.27 101.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.9 m -95.42 -64.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 112' ' ' VAL . 65.4 m-20 -100.77 126.0 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.4 tpt -68.44 -38.94 81.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -69.66 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.25 95.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 108' ' ' ASP . 62.0 t -62.68 -51.97 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.512 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 66.7 m95 -60.44 -26.54 66.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -76.51 -56.09 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.35 -36.95 83.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.09 119.46 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -85.94 155.73 58.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -6.78 19.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -89.42 -16.04 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -114.06 -9.93 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.636 HD23 ' HB ' ' A' ' 100' ' ' ILE . 9.1 mt -82.27 137.63 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -110.87 120.4 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 124' ' ' SER . 10.3 t70 -105.79 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 123' ' ' ASP . 35.0 m -140.13 120.2 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -85.6 112.37 20.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 127' ' ' ARG . 6.7 tt -121.6 143.41 49.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.754 ' N ' HD23 ' A' ' 126' ' ' LEU . 52.2 ttt180 -111.26 106.7 15.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.443 ' O ' ' ND1' ' A' ' 93' ' ' HIS . 2.8 m -69.77 116.25 9.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.54 129.87 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 29' ' ' PHE . 80.9 m-85 -93.0 110.85 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.69 157.67 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 18.0 mtp -139.84 148.89 57.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.06 4.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.21 111.8 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -151.78 134.04 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.22 173.77 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 47.96 25.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -58.41 130.73 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.79 117.65 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -56.76 129.86 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.73 149.07 4.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.2 t -143.13 165.46 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.71 166.18 35.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.431 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -1.45 8.55 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.25 . . . . 0.0 112.292 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.6 m -140.14 161.67 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 87.9 p -170.78 109.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -164.18 170.71 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 p -71.61 108.15 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.77 -107.25 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -130.76 -47.44 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.916 0.389 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 p -63.36 149.04 46.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.84 -135.79 3.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -132.78 161.39 34.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.63 172.48 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.31 64.96 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.78 93.33 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.11 93.31 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.423 HE22 ' CD1' ' A' ' 17' ' ' LEU . 11.1 tt0 -139.96 150.07 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.045 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -109.27 -27.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.865 HD12 ' CG2' ' A' ' 99' ' ' THR . 46.1 mt -104.3 129.57 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.66 104.93 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD1' HE22 ' A' ' 13' ' ' GLN . 6.1 mp -73.37 159.15 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HA ' ' C ' ' A' ' 19' ' ' PRO . 3.0 m-20 -153.96 119.07 2.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' LEU . 53.8 Cg_endo -69.73 136.22 37.67 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.386 -0.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.43 12.75 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -67.96 -76.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.34 156.07 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 19' ' ' PRO . 17.3 tp -98.88 105.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -81.43 153.04 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.71 109.62 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -73.3 118.74 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.77 -160.93 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.15 33.71 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.387 0.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 24.3 m-85 -103.28 21.45 15.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t -88.73 -16.57 31.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.18 168.36 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.91 119.61 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.9 t -102.11 117.05 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -93.85 120.94 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -107.56 143.22 36.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -99.76 120.4 39.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.17 101.28 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -78.12 149.07 33.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 mt -134.81 104.58 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -84.66 153.89 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HA ' HD23 ' A' ' 15' ' ' LEU . 50.1 t30 -132.5 103.12 13.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.12 6.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.845 ' HB3' HD11 ' A' ' 14' ' ' ILE . 96.8 p -53.49 176.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -119.08 22.28 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.5 ptp180 -140.86 148.83 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -52.61 136.34 32.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 101' ' ' PHE . 99.0 t -131.16 135.87 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.3 m -86.55 146.88 26.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.48 ' CD1' HG13 ' A' ' 68' ' ' ILE . 18.6 p90 -148.6 130.96 15.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HG3' ' CZ2' ' A' ' 113' ' ' TRP . 46.1 mttt -117.29 145.45 43.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 61' ' ' VAL . 2.0 t -110.4 123.72 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 133.53 20.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.5 t -132.96 165.44 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.9 p -80.44 -11.89 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.59 62.0 23.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.553 0.692 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -40.59 5.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.6 mmm-85 -58.43 -15.77 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -113.36 -28.67 7.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.14 124.22 49.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.71 94.25 4.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 46.5 t -87.36 123.05 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HA ' ' C ' ' A' ' 63' ' ' PRO . 17.4 mmm180 -138.72 123.21 11.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.616 0.722 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 62' ' ' ARG . 53.3 Cg_endo -69.78 161.92 85.25 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.361 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -98.78 -0.44 42.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 p -174.78 150.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.48 -160.68 32.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mt -128.19 138.9 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.48 HG13 ' CD1' ' A' ' 49' ' ' PHE . 68.3 mt -101.88 124.02 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.12 152.47 29.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.43 53.24 3.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 m -155.96 163.17 40.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 88.8 mt -113.75 128.75 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.8 t -110.9 125.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 m -93.67 118.58 31.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.435 HG13 ' HD2' ' A' ' 63' ' ' PRO . 23.3 t -99.69 153.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.46 104.86 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 61' ' ' VAL . 22.2 t -96.1 93.74 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.452 ' CE ' ' HB2' ' A' ' 62' ' ' ARG . 5.1 mpp? -75.5 112.39 11.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.6 tm? -107.24 112.85 25.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.496 ' N ' HD22 ' A' ' 80' ' ' LEU . 6.2 mp0 -71.06 143.68 89.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PHE . 53.5 Cg_endo -69.79 148.83 65.76 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -159.25 175.75 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.46 88.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -68.91 106.02 2.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.38 99.86 52.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -30.9 21.71 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.74 2.293 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -46.33 -45.41 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.97 -174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -109.34 129.5 55.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -58.08 133.29 55.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -125.3 39.41 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -128.56 134.36 48.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -125.98 148.89 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -118.7 126.98 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -128.63 140.37 51.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.7 t -127.25 129.48 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -101.9 153.03 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.865 ' CG2' HD12 ' A' ' 15' ' ' LEU . 31.6 p -152.46 130.19 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.43 HG22 ' CZ3' ' A' ' 113' ' ' TRP . 2.9 tt -147.81 129.29 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 47' ' ' VAL . 39.0 m-85 -44.3 154.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.42 20.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.579 0.705 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.43 30.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -16.71 37.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -120.08 21.55 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.482 ' CD1' HG21 ' A' ' 112' ' ' VAL . 3.6 tp -43.94 104.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -122.4 -54.46 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.2 92.87 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.7 mtp -50.44 -44.25 55.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -55.77 -37.99 69.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.47 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 106' ' ' ILE . 15.9 t -58.15 -62.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CZ2' ' HG3' ' A' ' 50' ' ' LYS . 96.3 m95 -49.92 -32.76 15.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -70.2 -58.04 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -59.91 -29.45 68.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.37 125.39 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -85.77 155.7 58.69 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.43 10.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.35 -18.89 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -108.59 -13.29 14.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.29 127.78 33.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -97.42 136.07 38.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.45 168.2 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.0 p -141.76 124.71 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -82.89 113.76 20.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.885 HD23 ' N ' ' A' ' 127' ' ' ARG . 5.9 tt -129.69 151.03 50.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.885 ' N ' HD23 ' A' ' 126' ' ' LEU . 14.4 ptt85 -126.93 141.75 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 83.9 m -100.74 127.92 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.4 t -96.43 141.03 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -101.44 105.14 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -110.61 149.43 30.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ptm -144.47 146.57 33.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.26 31.56 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -56.57 -61.16 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -44.58 99.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -97.72 28.83 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.36 93.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -99.45 125.88 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tt -84.36 114.32 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.37 162.11 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -116.28 41.68 2.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.6 p -67.87 154.69 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 134.51 70.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 171.38 14.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.5 t -120.21 118.51 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.3 t -121.35 137.94 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.529 179.971 . . . . . . . . 0 0 . 1 stop_ save_