data_2dme_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 2dme _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.749 0.309 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.03 -50.98 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -46.74 -61.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -41.02 -53.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 52' ' ' PHE . 31.6 mtt180 -61.33 -47.83 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -51.48 -59.9 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -49.02 -49.66 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.491 HG12 ' CE1' ' A' ' 66' ' ' TYR . 95.6 t -43.44 -43.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -54.56 -65.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -52.15 -58.48 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m -39.62 -53.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.08 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -42.0 -36.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.82 -52.19 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mt -61.24 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.66 -12.04 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mmt -90.89 -51.22 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -17.52 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -89.08 -56.66 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -57.66 -41.75 82.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 30' ' ' ASP . 3.0 t -58.3 -29.21 65.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 29' ' ' THR . 4.9 t70 -94.9 -11.27 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -97.46 23.5 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m120 45.2 26.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.17 116.74 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -84.44 37.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.25 147.93 38.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.64 35.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -44.22 -31.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.78 -39.86 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.53 -66.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.08 -52.26 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.9 -67.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -38.25 -57.93 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG13 ' CG1' ' A' ' 85' ' ' VAL . 72.0 t -48.45 -52.5 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.38 -66.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.9 m -42.82 -33.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' ILE . 13.8 mmtm -71.36 -48.61 49.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.4 mm -36.83 -48.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -67.5 -45.49 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -54.58 -27.51 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 4.0 mm-40 -93.44 -41.21 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.07 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 13' ' ' ARG . 38.3 t80 -45.28 -28.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 t -78.85 -67.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -44.35 -37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.59 -37.48 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 60.77 26.03 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -166.56 153.56 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.3 p -110.23 55.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' ALA . 4.1 t70 -99.99 175.07 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -37.55 -57.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -44.44 -58.53 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -41.53 -48.06 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -68.73 -41.41 79.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -51.2 -45.57 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -68.4 -43.95 76.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CE1' HG12 ' A' ' 16' ' ' VAL . 3.9 t80 -58.46 -56.99 15.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -60.7 -17.15 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -88.39 -19.23 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.9 mt -86.38 -48.53 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 ptm -76.09 -19.38 58.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.05 -38.44 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -77.83 -6.92 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.4 mt -91.0 -44.34 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 8.0 t70 -43.04 139.97 2.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -34.31 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.75 -48.61 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -79.46 104.68 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -123.98 20.65 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.76 -35.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 tp -45.78 -61.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 83' ' ' LYS . 20.9 p90 -50.3 -27.92 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 22.9 mttt -85.05 -30.21 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -64.0 -55.56 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.417 ' CG1' HG13 ' A' ' 43' ' ' VAL . 37.5 t -62.13 -45.55 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 9.6 mp -60.79 -58.12 9.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -55.96 -40.84 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.07 -18.53 4.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -42.14 -51.05 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.02 151.09 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.02 152.91 37.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.11 20.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -98.89 -45.35 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -73.84 -32.59 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -46.19 -28.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 12.9 mt -76.19 -38.77 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 mtp-105 -71.59 -19.63 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.4 mtp -59.92 125.83 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -65.47 158.23 74.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.52 31.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -98.94 -12.33 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.57 -38.61 11.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.31 -48.48 76.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.32 -51.56 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.9 mt -43.52 -58.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.4 -47.36 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.76 -57.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -52.94 -43.85 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.419 HG12 ' CD ' ' A' ' 48' ' ' GLU . 55.2 t -52.31 -51.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -47.98 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -40.74 -45.33 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 m -57.28 -50.24 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.58 -45.06 89.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 22.9 ttpp -66.27 -33.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.48 -56.44 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HD12 ' NZ ' ' A' ' 74' ' ' LYS . 50.6 mt -58.43 -65.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 86' ' ' LEU . 14.4 mt -47.45 -36.5 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 9.1 mmt -61.01 -34.92 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -86.88 -26.59 23.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -78.17 -25.71 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.75 -34.03 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -79.11 -29.88 43.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -34.47 57.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -88.17 -176.05 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -88.26 45.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.32 129.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -105.93 11.88 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.6 149.18 31.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 157.92 58.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -64.23 -21.75 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.94 -24.88 59.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -58.52 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.0 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.82 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -48.87 -47.0 43.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 85' ' ' VAL . 40.3 t -59.34 -62.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.82 -49.91 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -54.86 -36.84 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -75.21 -14.68 60.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -76.06 -53.38 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.7 -48.94 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -46.77 -31.89 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' A' ' 93' ' ' ASP . 20.8 tp10 -92.44 -42.94 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.1 tp -56.27 -61.4 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -49.52 -31.31 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -74.61 -63.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -43.84 -54.08 5.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.14 -38.69 60.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 70.91 25.86 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -168.96 164.82 11.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.52 ' HA ' ' CG ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -122.44 56.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' TYR . 12.1 p-10 -113.6 -173.88 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.89 -51.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -55.69 -39.24 70.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.6 t80 -64.67 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -51.87 -48.87 63.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.75 -51.01 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 69' ' ' LEU . 14.1 tppt? -66.03 -43.33 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -58.78 -62.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 67' ' ' ARG . 4.2 ptp180 -55.1 -20.5 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -81.27 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD2' ' HD2' ' A' ' 65' ' ' LYS . 14.9 mt -41.64 -36.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 73' ' ' LEU . 16.8 ptm -87.06 -32.71 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -39.26 -38.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 2.7 m-80 -84.61 -35.35 22.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' MET . 56.4 mt -57.71 -47.99 80.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' NZ ' HD12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -68.8 -15.07 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.45 138.93 96.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -21.35 33.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -81.19 -44.43 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 72' ' ' ASN . 23.9 m120 -68.53 84.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 2.3 p30 -105.65 -5.4 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mt -101.3 -42.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' ' HZ3' ' A' ' 84' ' ' LYS . 11.6 tp -51.57 -61.77 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 83' ' ' LYS . 1.5 p90 -49.82 -20.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 20.3 mttm -90.29 -33.09 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HZ3' ' N ' ' A' ' 81' ' ' LEU . 33.0 mtmm -70.21 -37.87 75.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 43' ' ' VAL . 20.3 t -70.22 -40.63 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 86' ' ' LEU . 10.1 mp -70.9 -56.28 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -56.27 -49.37 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 141.5 -26.26 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLY . 32.5 mt-10 -36.08 -37.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.58 124.76 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 p -76.03 150.42 83.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.03 22.86 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' CB ' ' HG2' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.0 -22.99 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' ARG . 33.5 t60 -90.17 -31.71 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.6 tp -46.69 -20.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.23 -34.07 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' HIS . 52.2 mtt85 -74.89 -22.33 58.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 36.8 mtp -58.56 158.94 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -85.04 151.15 56.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.1 37.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.44 -11.36 25.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.22 -29.16 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.15 -42.21 99.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -28.89 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.56 -73.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -47.23 -32.91 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.43 -65.55 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -46.49 -35.29 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 72.0 t -49.7 -59.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 20.9 mtm180 -36.24 -65.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -38.68 -53.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' ASP . 1.3 t -52.32 -67.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -38.72 -45.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.37 -38.8 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' SER . 9.3 t0 -54.29 -49.85 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.28 -60.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 86' ' ' LEU . 13.8 mt -53.53 -28.74 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 mmt -68.56 -31.36 70.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -91.96 -33.63 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 19.8 mmm180 -71.14 -24.64 62.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -90.96 -32.81 15.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -75.32 -26.69 58.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -84.19 -36.41 22.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.5 p -77.45 -176.26 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -88.71 40.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.03 129.93 46.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -106.99 20.19 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -64.45 149.0 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.45 27.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.06 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.34 -33.52 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.57 -51.11 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -54.98 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.7 mttp -35.26 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.53 -59.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.98 -43.79 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ILE . 7.4 mmtp -81.61 -47.46 13.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 HD12 ' CB ' ' A' ' 92' ' ' PRO . 8.5 mm -36.9 -69.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -40.28 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -56.69 -38.01 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -83.19 -41.72 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 62' ' ' TYR . 3.9 tp -64.37 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -56.87 -32.58 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.1 t -78.44 -22.67 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -81.01 -45.72 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.18 -19.64 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 54.62 26.84 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 58' ' ' THR . 65.9 t0 -173.38 142.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 p -93.48 55.31 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -98.15 -175.14 3.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.13 -41.49 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -59.99 -20.06 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -91.41 -46.15 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.93 -48.91 79.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -47.01 -47.56 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -65.55 -40.04 92.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.415 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 1.5 t80 -56.78 -64.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 1.5 ptp180 -51.75 -35.76 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 t -63.81 -35.91 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.39 -51.51 59.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.415 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 8.7 ptm -75.3 -19.28 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.9 -32.24 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 103' ' ' LEU . 8.1 m-80 -91.3 -7.33 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 mt -95.19 -33.78 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.65 -24.14 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.45 136.01 91.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -29.88 23.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -2.04 21.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 34.0 t-20 -131.85 112.74 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -130.44 24.39 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 83' ' ' LYS . 12.7 mt -114.92 -53.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' ILE . 10.7 tp -36.64 -60.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 83' ' ' LYS . 2.3 p90 -52.38 -33.72 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 31.8 mtpt -74.33 -39.15 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -70.38 -35.66 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.98 -36.35 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 24' ' ' LEU . 10.7 mp -82.31 -49.61 9.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -59.09 -45.48 90.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.79 -22.11 4.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -43.45 -25.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -126.72 140.31 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.71 148.66 35.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.42 ' CB ' HD12 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -5.45 16.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.84 -17.55 14.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -99.22 -32.65 11.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -47.09 -27.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 28.8 mt -74.92 -53.31 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -54.15 -24.02 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 43.3 mtp -53.04 140.65 24.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -80.71 156.3 72.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -1.94 9.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -103.93 -31.4 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.99 -43.12 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.482 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.75 -46.82 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.82 -48.71 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.5 mt -48.18 -52.88 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 11.6 mtp-105 -59.48 -48.36 81.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -56.57 -42.77 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 22.6 t -64.84 -57.29 9.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG12 ' CE1' ' A' ' 66' ' ' TYR . 62.0 t -34.51 -50.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' HIS . 59.3 mtt180 -46.63 -71.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' ARG . 2.4 t-160 -35.22 -59.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.43 -51.06 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.49 -54.46 35.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 25' ' ' MET . 1.8 ttpm? -55.73 -25.17 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.21 -41.47 77.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 86' ' ' LEU . 30.9 mt -51.94 -19.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -71.72 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -23.18 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HB3' ' CD2' ' A' ' 82' ' ' PHE . 26.8 mmm180 -78.6 -43.17 27.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 35' ' ' VAL . 1.3 pp -75.75 -42.02 51.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -63.33 -23.26 67.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -91.09 -25.49 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -95.45 160.5 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -55.3 -17.43 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt -38.82 -57.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 50.97 26.62 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' CG2' HD23 ' A' ' 28' ' ' LEU . 18.4 m -65.87 151.26 95.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 139.28 40.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 22.8 tt0 -42.21 -29.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.68 -45.1 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -60.66 -68.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.55 -44.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' HD3' ' A' ' 21' ' ' LYS . . . -69.16 -37.64 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . 27.3 mtmt -58.78 -41.61 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG13 ' CG1' ' A' ' 85' ' ' VAL . 78.6 t -59.38 -61.62 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.73 -49.67 37.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.5 m -50.22 -39.33 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 4.1 mptt -73.7 -46.68 44.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 92' ' ' PRO . 27.2 mm -37.55 -66.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.99 -52.47 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -38.64 -44.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -82.65 -43.67 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 4.5 tp -59.34 -68.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 74.2 t80 -39.92 -30.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -50.2 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -51.55 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.35 -24.58 65.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 51.48 31.29 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -172.57 149.77 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -100.62 54.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 60' ' ' ALA . 23.9 t70 -97.93 170.96 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.7 -49.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 28.5 mttt -48.68 -61.3 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' LYS . 68.9 t80 -34.67 -58.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 56.6 mttt -58.67 -53.38 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LYS . 8.3 t30 -37.0 -49.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.63 -54.9 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE1' HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -43.35 -55.02 4.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 68' ' ' SER . 8.4 ptp180 -57.3 -36.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 3.9 m -67.68 -39.8 84.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.65 -39.36 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.5 ptm -89.51 -23.15 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -53.26 -40.48 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.2 m-80 -81.44 -18.02 46.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.62 -45.42 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -70.49 -42.52 71.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.06 138.16 7.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -41.17 4.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -55.22 -24.99 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 m120 -100.54 97.29 8.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.86 25.24 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mm -123.57 -32.69 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.27 -62.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 2.8 p90 -41.78 -30.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LYS . 15.3 ttmm -84.74 -68.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.0 mtmt -34.27 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' A' ' 43' ' ' VAL . 48.1 t -68.4 -49.77 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 24' ' ' LEU . 9.5 mp -64.83 -53.5 45.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -55.98 -32.63 64.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 123.46 -28.71 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 39.9 mm-40 -34.62 -44.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -118.6 133.76 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.1 p -85.13 148.33 50.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' CB ' HD11 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.71 -15.17 37.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -32.9 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -85.97 -29.85 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 98' ' ' MET . 4.8 tt -47.59 -22.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -79.14 -45.65 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -71.28 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.425 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 mmm -63.29 162.89 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -95.27 155.36 38.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.44 36.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -103.11 -11.33 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -88.54 -34.1 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.27 -31.5 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' ILE . 28.0 tp60 -72.97 -59.22 2.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLN . 80.3 mt -37.7 -45.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -67.69 -47.21 70.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -53.77 -54.13 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -38.72 65.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 66' ' ' TYR . 86.8 t -57.85 -40.83 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' CZ ' HG22 ' A' ' 45' ' ' THR . 66.7 mtt180 -62.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' SER . 16.0 m170 -44.86 -62.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.2 t -36.77 -64.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -42.53 -57.64 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -53.86 -30.86 47.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.96 -48.37 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.02 -63.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 mt -49.43 -25.77 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.1 mmt -69.97 -65.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.66 58.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -87.45 -34.21 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -84.0 -40.77 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 t -61.2 -23.22 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.76 -39.14 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -76.09 173.14 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 38.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 8.3 mt -84.33 -56.69 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt 59.2 45.74 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.5 151.89 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.99 55.96 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -45.91 -38.6 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -48.6 -38.43 20.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -66.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.05 -60.53 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.73 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 37.1 mtpt -39.38 -54.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 85' ' ' VAL . 45.8 t -57.26 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.23 -34.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 17' ' ' ARG . 20.2 m -67.96 -38.71 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -71.53 -45.06 63.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.9 mm -37.24 -60.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' CD ' HG13 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -67.59 -45.53 75.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -43.83 -32.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -44.02 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 62' ' ' TYR . 6.5 tp -58.58 -59.5 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -45.91 -38.94 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.8 t -73.39 -48.39 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.33 -44.59 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.63 -17.0 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 38.07 32.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 1.3 p30 -174.6 141.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -94.34 59.11 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -95.43 170.36 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.55 -44.26 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' TYR . 24.0 mtmt -56.06 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE1' HD22 ' A' ' 51' ' ' LEU . 66.5 t80 -34.68 -64.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -57.78 -51.93 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -41.27 -40.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.52 -43.43 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -52.96 -17.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -87.9 -57.35 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 mt -49.82 -32.24 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 20.8 ptm -89.33 -23.26 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -37.79 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.13 -37.13 78.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.93 -58.43 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 70' ' ' MET . 9.6 ptpp? -69.31 -33.15 72.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.6 t70 -38.31 134.53 0.92 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -26.51 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -80.92 -36.22 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -99.02 98.78 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -121.71 40.06 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' LYS . 11.0 mt -129.65 -50.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' ILE . 10.4 tp -36.46 -63.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 83' ' ' LYS . 5.3 p90 -39.79 -39.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 19.5 tttm -79.11 -44.67 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -51.36 -43.79 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 43' ' ' VAL . 40.6 t -68.1 -57.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 6.8 mp -49.67 -53.09 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 mmmp? -61.73 -41.33 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 131.48 -26.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLY . 5.5 mm-40 -36.21 -50.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.75 126.86 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 147.05 64.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.95 35.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -95.03 -24.81 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ARG . 22.7 t60 -88.35 -37.61 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.3 tp -41.07 -27.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.65 -42.5 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' HIS . 51.0 mtp180 -69.82 -24.26 63.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.1 mtp -58.98 138.38 57.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.63 150.8 95.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -12.23 32.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.361 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -101.79 -30.08 11.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.12 -40.35 65.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.46 -28.27 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.74 -37.44 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.11 -70.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -43.86 -38.97 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -49.71 -38.66 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.66 -43.22 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -53.51 -62.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -47.87 -54.13 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.2 m -46.57 -67.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -43.08 -60.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' ASP . 29.9 ttpt -45.79 -58.0 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.6 t70 -34.36 -59.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mt -50.77 -64.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 86' ' ' LEU . 33.0 mt -48.72 -32.44 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 62.6 mmm -72.86 -38.36 67.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -20.06 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -90.92 -18.97 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -95.67 -37.31 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 30' ' ' ASP . 6.4 t -70.56 -23.97 62.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' N ' HG21 ' A' ' 29' ' ' THR . 17.6 t70 -94.81 -44.59 7.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -68.72 -179.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.94 41.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.42 139.13 40.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -122.48 27.66 7.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.34 149.57 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.51 67.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -50.27 -29.8 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.41 -39.56 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -64.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.75 -59.22 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.95 -32.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -74.61 -41.13 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.63 -65.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.14 -51.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.7 m -51.54 -41.13 60.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -70.2 -23.06 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 HD12 ' CB ' ' A' ' 92' ' ' PRO . 34.0 mm -69.36 -51.61 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -38.65 -32.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -46.55 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.6 tp -64.06 -61.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -48.7 -24.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.6 t -82.65 -59.48 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -52.21 -37.43 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 39.4 m-85 -89.56 -21.07 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.1 ptp180 42.68 30.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -174.86 151.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 45.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 35.2 t0 -83.53 168.15 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -36.68 -52.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' TYR . 29.5 mtmt -46.3 -65.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' A' ' 51' ' ' LEU . 18.9 t80 -35.96 -44.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.86 -57.11 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -37.56 -42.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -72.62 -49.08 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.94 -60.27 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 39.4 ptt85 -49.82 -42.02 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 t -64.54 -47.69 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -38.88 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -88.27 -13.75 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 35.6 t80 -66.8 -47.65 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -69.56 -34.73 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.9 -44.4 78.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.81 -35.9 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -39.4 134.92 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -37.24 9.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.622 2.215 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -63.61 -41.15 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.88 98.5 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -121.22 30.35 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.04 -43.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 10.6 tp -45.86 -69.3 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.0 p90 -40.78 -45.69 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 34.0 ttmt -60.38 -60.19 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 46.0 mtmt -48.54 -33.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.94 -62.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 24' ' ' LEU . 10.0 mp -51.95 -51.48 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -57.65 -37.98 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 129.23 -28.58 4.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' GLY . 17.4 mt-10 -34.78 -47.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -111.62 141.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.64 144.2 27.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.458 ' CB ' HD12 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -4.79 14.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -106.42 -16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -94.84 -29.93 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.9 tp -46.64 -27.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 mt -76.79 -43.01 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -66.34 -22.6 66.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mmm -58.85 171.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -106.35 156.24 37.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.715 0.769 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.21 25.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -106.9 -24.03 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.1 -37.6 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -43.73 81.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -54.53 -52.42 62.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -48.05 -57.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -59.82 -54.06 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -46.2 -48.61 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -54.72 -47.41 73.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -44.6 -46.2 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' NE ' ' OG1' ' A' ' 45' ' ' THR . 41.7 mtp180 -46.44 -58.16 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' SER . 6.9 t-160 -54.12 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.438 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 3.8 m -36.38 -54.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.17 -63.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.3 ttpt -44.37 -35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.94 -54.6 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' CD1' ' HE1' ' A' ' 70' ' ' MET . 55.3 mt -59.22 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 86' ' ' LEU . 29.1 mt -48.1 -35.41 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.4 mmt -58.2 -34.75 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 -28.9 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.15 -20.63 57.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -94.2 -36.96 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.1 t -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -37.11 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -77.81 170.72 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.21 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 mt -94.77 -65.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? 70.7 42.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.38 152.24 42.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.27 42.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 13.9 tt0 -42.37 -32.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.73 -43.5 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.11 -69.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.83 -60.16 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -41.05 -53.97 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -54.91 -58.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.17 -47.91 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.432 ' OG1' ' NE ' ' A' ' 17' ' ' ARG . 15.8 m -58.89 -24.6 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -90.98 -11.14 39.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.443 HD12 ' CB ' ' A' ' 92' ' ' PRO . 48.7 mm -73.26 -43.85 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.4 -52.39 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' GLU . 22.8 pttt -37.41 -38.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 96' ' ' ILE . 7.8 tp10 -89.96 -30.19 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -64.62 -61.15 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -53.46 -36.11 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 t -75.74 -36.07 60.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.94 -56.72 14.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -78.03 -38.67 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 73.55 29.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.84 146.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.7 p -100.8 57.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.3 m-20 -105.76 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.4 -66.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' ASN . 32.8 mtmt -37.86 -62.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 51' ' ' LEU . 82.5 t80 -36.52 -52.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -29.73 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' LYS . 34.0 t-20 -63.74 -28.35 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -83.31 -39.74 20.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -62.9 -61.18 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -50.38 -28.62 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 t -77.56 -51.45 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.42 -38.5 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.546 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 5.0 ptm -84.48 -37.92 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -45.39 -34.68 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -87.0 -26.02 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.3 mt -68.51 -50.92 48.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -76.72 -17.23 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -50.68 128.96 26.95 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -26.78 27.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -78.02 -31.57 50.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 115.15 28.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.63 48.63 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG21 ' CE ' ' A' ' 84' ' ' LYS . 19.8 mm -131.04 -57.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . 12.1 tp -43.61 -63.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.2 p90 -41.95 -26.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -93.1 -33.75 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' CE ' HG21 ' A' ' 80' ' ' ILE . 36.5 mtmt -68.66 -39.04 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.47 -38.49 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 24' ' ' LEU . 10.2 mp -71.64 -54.0 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -57.6 -44.1 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 137.62 -27.38 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.7 mm-40 -34.55 -48.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.81 146.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -93.57 155.05 41.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' CB ' HD12 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.77 -23.35 30.84 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.9 -42.19 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ARG . 19.7 t60 -74.64 -35.29 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.4 tp -44.79 -23.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 50' ' ' GLU . 10.9 mt -84.55 -34.0 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' HIS . 13.1 ptm180 -103.9 34.74 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.1 mtp -97.21 140.37 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -46.96 144.47 3.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -103.13 -13.48 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.26 -32.15 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.03 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -43.54 -48.62 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.98 -54.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -57.72 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.65 -45.67 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -56.47 -42.71 78.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG1' ' CD ' ' A' ' 48' ' ' GLU . 77.1 t -51.68 -53.84 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 31.9 mtm-85 -42.97 -61.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -52.22 -61.3 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -43.45 -62.39 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.6 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ASP . 21.7 ttpt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.5 t0 -35.07 -58.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -48.77 -56.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' A' ' 86' ' ' LEU . 52.4 mt -58.94 -32.43 69.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 12.4 mtp -74.92 -25.75 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -32.19 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.21 -24.03 43.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 1.0 OUTLIER -86.75 -40.51 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -63.88 -19.94 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.37 -53.98 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -66.55 -179.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -91.51 47.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.43 126.55 38.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -99.9 9.43 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -56.65 151.12 32.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.89 36.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 19.6 tt0 -61.65 -47.83 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pm0 -51.9 -38.58 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.06 -58.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -68.51 -65.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -39.31 -49.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.437 HG12 ' CG1' ' A' ' 85' ' ' VAL . 50.2 t -54.62 -58.39 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.63 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.1 m -70.34 -25.54 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 92' ' ' PRO . 20.1 mmtt -80.44 -38.22 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 92' ' ' PRO . 4.8 mm -48.24 -55.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' CG1' ' A' ' 16' ' ' VAL . 1.4 mp0 -65.09 -58.38 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLU . 37.3 tttp -34.6 -37.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' GLU . 6.7 tp10 -91.5 -44.61 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.493 HD22 ' CZ ' ' A' ' 62' ' ' TYR . 8.4 tp -54.74 -59.11 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.67 -34.22 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -77.92 -18.75 55.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -93.57 -32.52 14.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.6 -15.01 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 43.83 29.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -172.6 155.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.3 p -110.89 46.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.39 -174.93 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.24 -45.17 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -33.77 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 71.7 t80 -68.41 -61.87 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -48.01 76.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -80.12 -48.04 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.13 -50.52 64.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.96 -35.02 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 12.8 t -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.88 -43.75 82.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 ptm -81.44 -14.03 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.0 -35.18 69.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.91 -11.32 59.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.26 -42.15 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -19.67 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.21 130.51 91.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.99 25.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -5.17 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -130.32 77.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -103.03 51.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 HG21 ' CD ' ' A' ' 84' ' ' LYS . 3.0 mm -134.98 -51.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' LYS . 10.3 tp -47.02 -61.05 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -38.53 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LEU . 36.5 ttmt -92.55 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 54.2 mtmt -34.23 -42.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' CG1' HG12 ' A' ' 43' ' ' VAL . 20.1 t -67.29 -60.47 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 24' ' ' LEU . 8.4 mp -51.55 -52.63 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.72 -43.58 80.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 136.5 -29.72 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 6.0 mm-40 -35.43 -46.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.2 t -117.58 150.35 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.08 159.75 28.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.464 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.6 Cg_endo -69.76 -21.93 32.82 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -82.95 -57.66 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.58 -29.19 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -47.73 -20.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.07 -47.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -62.03 -19.04 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -61.33 161.58 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 156.42 58.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -5.55 16.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.84 -24.63 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.82 -46.82 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -53.42 -45.28 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.3 -54.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 52' ' ' PHE . 74.6 mtm180 -57.11 -55.35 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 14' ' ' GLN . 7.4 tm0? -39.95 -50.3 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -55.28 -47.99 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.483 HG11 ' CE1' ' A' ' 66' ' ' TYR . 58.8 t -48.92 -45.02 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -53.81 -66.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -44.8 -59.74 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -41.52 -49.97 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.8 -57.01 14.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.6 ttpt -54.31 -28.81 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.71 -44.95 92.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CD1' ' HE1' ' A' ' 70' ' ' MET . 60.0 mt -72.03 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 86' ' ' LEU . 57.1 mt -51.76 -17.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 2.8 mmt -78.9 -55.71 4.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -21.71 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.95 -39.69 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -78.59 -41.32 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 t -58.72 -32.07 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.16 -53.61 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -60.23 -178.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.34 49.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -106.85 122.53 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -100.86 30.36 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.36 147.19 95.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.15 46.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -42.94 -37.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.88 -46.2 82.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.0 -62.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.31 -50.04 63.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB1' ' CD ' ' A' ' 21' ' ' LYS . . . -57.99 -69.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -37.47 -48.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.89 -58.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.89 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -60.01 -30.37 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.9 mttt -85.82 -39.27 17.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 92' ' ' PRO . 47.1 mm -36.59 -55.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' CG ' HG13 ' A' ' 16' ' ' VAL . 28.1 mm-40 -76.53 -34.41 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -49.92 -40.99 45.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -85.32 -43.45 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 62' ' ' TYR . 5.8 tp -55.72 -60.93 2.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 20.4 t80 -42.15 -43.35 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -71.41 -64.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -39.39 -52.94 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.54 -48.49 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 74.7 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -171.54 159.3 5.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -119.66 47.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.4 m-20 -97.1 177.61 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.27 -65.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' TYR . 20.7 mtmm -37.4 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 51' ' ' LEU . 55.8 t80 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.64 -49.31 71.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -41.62 -48.02 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -64.08 -50.24 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.483 ' CE1' HG11 ' A' ' 16' ' ' VAL . 2.0 t80 -56.09 -65.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 68' ' ' SER . 9.3 ptm180 -47.64 -37.37 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 16.9 m -69.12 -40.93 78.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.59 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 26.4 ptm -72.94 -30.18 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.04 -39.03 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -80.52 -25.62 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' MET . 87.6 mt -71.45 -43.8 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -73.45 -20.27 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.61 127.83 88.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.723 . . . . 0.0 110.896 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -33.36 16.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -54.66 -32.08 58.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -110.36 79.82 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.3 p30 -98.91 47.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.4 mt -128.14 -46.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 10.2 tp -47.21 -67.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -40.11 -34.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -76.75 -46.0 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 56.6 mtmt -59.15 -36.92 76.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.75 -58.62 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 24' ' ' LEU . 11.0 mp -56.15 -45.78 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -63.24 -44.87 94.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.68 -27.52 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -39.49 -34.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.2 t -124.23 147.65 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 152.25 38.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.709 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.431 ' CB ' HD11 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.79 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 2.8 p30 -95.77 -37.06 10.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' ILE . 30.8 t60 -80.81 -33.75 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.76 -25.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' HIS . 8.2 mt -72.74 -70.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -39.72 -33.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.9 mtp -55.74 125.88 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -71.88 160.08 83.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.676 0.75 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.56 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -95.81 -25.78 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.58 -43.97 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.771 0.32 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -58.46 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -53.28 -55.13 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.5 -64.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 13' ' ' ARG . 13.1 mtp-105 -50.02 -46.82 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -55.48 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 t -48.86 -41.54 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG11 ' CD1' ' A' ' 66' ' ' TYR . 97.0 t -53.29 -48.19 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -56.25 -71.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -46.33 -59.37 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.426 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 20.9 m -37.92 -59.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.33 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.1 ttpt -47.11 -28.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.52 -52.24 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 55.4 mt -64.22 -54.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.0 -17.18 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.6 mmt -81.57 -33.31 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -93.72 -19.29 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 78' ' ' ASN . 19.3 mmm180 -86.34 -20.98 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.62 -33.18 15.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 t -69.44 -33.37 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.78 -38.51 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 m -80.76 168.68 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -79.38 49.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -102.77 128.93 49.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -108.41 29.35 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -72.5 147.15 89.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.39 57.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -47.17 -34.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -44.34 91.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -68.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.21 -56.04 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -50.53 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' ALA . 29.4 mtpt -36.04 -51.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -53.82 -55.58 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.55 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -49.99 -30.02 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -77.91 -44.85 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.408 HD12 ' CB ' ' A' ' 92' ' ' PRO . 17.8 mm -41.8 -56.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' LYS . 11.5 mp0 -69.75 -53.43 18.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 35.3 tttt -35.26 -39.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -89.68 -37.49 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 62' ' ' TYR . 5.8 tp -62.2 -58.82 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -50.86 -40.45 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 t -72.36 -39.27 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.91 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -75.34 -33.21 61.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 9.4 ttm105 66.58 29.35 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 7.6 m-20 -174.74 164.04 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.1 p -113.27 48.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.25 -177.44 6.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.65 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -76.21 -65.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CE2' HD21 ' A' ' 51' ' ' LEU . 5.4 t80 -41.93 -44.05 3.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -70.63 -45.45 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -52.99 -36.33 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -70.84 -51.11 28.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.426 ' OH ' ' CB ' ' A' ' 19' ' ' SER . 1.5 t80 -52.75 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -51.59 -29.4 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -80.88 -25.79 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.37 -35.9 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.46 ' CE ' HD12 ' A' ' 23' ' ' ILE . 2.2 ppp? -89.38 -19.97 24.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -58.43 -32.08 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -78.85 -53.09 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -42.07 -55.6 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 21.5 ptmt -58.51 -38.61 78.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -39.09 125.94 1.27 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.559 0.695 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -22.22 32.58 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -77.43 -32.96 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 2.6 m120 -94.09 89.35 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 26.3 p30 -106.7 36.24 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 ' CE ' ' A' ' 84' ' ' LYS . 9.7 mt -128.51 -54.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -39.39 -63.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 2.6 p90 -39.4 -46.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 7.4 tttt -69.86 -68.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 83' ' ' LYS . 31.4 mtmt -34.33 -38.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.26 -51.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 86' ' ' LEU . 9.8 mp -61.37 -51.53 68.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -58.37 -40.3 81.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.45 -24.63 3.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.48 -40.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 t -122.28 126.93 74.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 p -81.42 152.39 70.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.408 ' CB ' HD12 ' A' ' 47' ' ' ILE . 53.8 Cg_endo -69.79 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -20.9 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.01 -34.68 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.1 tp -42.72 -27.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt -79.46 -50.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -56.21 -26.54 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.1 mmm -57.53 146.79 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 p -81.44 155.9 71.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.43 3.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.34 -37.2 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -73.97 -34.95 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.83 0.347 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.84 -53.44 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.72 -45.16 82.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.89 -64.68 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 21.4 mtm105 -48.01 -45.55 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.08 -53.85 52.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -49.43 -44.77 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.421 HG12 ' CD ' ' A' ' 48' ' ' GLU . 98.3 t -47.34 -44.55 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -55.23 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.5 -52.58 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -49.79 -58.02 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.3 -55.68 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -53.97 -40.22 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.04 -52.47 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 59.3 mt -62.35 -57.41 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.02 -21.65 12.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mmt -76.41 -39.58 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -22.78 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' NH2' ' HA ' ' A' ' 79' ' ' ASN . 24.2 mmm180 -83.23 -22.99 32.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.16 -36.9 13.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.418 ' N ' HD11 ' A' ' 28' ' ' LEU . 10.4 t -69.14 -31.45 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -78.45 -57.08 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -53.76 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -89.32 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -105.4 157.1 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 12.8 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.99 147.56 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.85 32.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 -22.88 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.32 -25.48 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -68.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.08 -58.94 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.74 -51.08 53.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -53.55 -44.64 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.65 -58.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.01 -47.0 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -58.96 -21.17 57.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -91.7 -15.94 27.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.93 -53.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -63.87 -57.4 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' GLU . 15.2 tp10 -96.34 -41.18 8.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.3 tp -64.3 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.46 -24.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -84.61 -50.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -56.73 -29.39 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.68 -33.1 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 24.3 mtt-85 56.05 31.91 18.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 13.4 m-20 -171.92 154.91 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.6 p -101.62 29.77 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.36 169.66 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.32 -38.6 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -60.16 -31.66 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -72.54 -57.4 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.98 -42.69 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.83 -48.03 41.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.29 -44.09 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -57.11 -55.98 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -63.37 -23.99 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -79.42 -39.22 32.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -49.0 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.6 ptm -70.16 -27.28 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -49.38 -45.21 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -72.9 -22.7 60.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.66 -53.96 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 31.1 pttt -69.29 -3.84 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.28 121.87 84.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.45 37.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -83.59 -43.72 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 52.5 t-20 -87.26 87.29 7.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -101.63 42.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 mt -129.67 -57.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 9.7 tp -34.9 -69.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.2 p90 -42.23 -51.84 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 30.7 ttmt -55.37 -58.04 9.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 42.6 mtmt -49.85 -35.16 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.9 t -70.3 -66.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 mp -49.22 -45.82 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.11 -43.45 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.02 3.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -39.36 -55.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.4 t -98.73 145.8 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.15 149.33 35.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.535 0.684 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.54 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.63 -24.39 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 96' ' ' ILE . 56.0 t60 -86.96 -36.82 18.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -42.7 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 94' ' ' HIS . 17.5 mt -79.9 -56.3 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 14.5 mtp-105 -57.97 -24.95 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -53.52 152.8 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.0 m -78.79 150.0 74.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -22.93 31.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -84.14 -25.13 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -78.25 -45.19 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 33.2 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.19 -46.12 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.41 -47.73 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.08 -61.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -49.65 -48.54 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -54.48 21.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -52.64 -47.57 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 ' CD ' ' A' ' 48' ' ' GLU . 91.2 t -47.57 -50.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -57.46 -66.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -43.23 -54.38 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 m -47.9 -57.91 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.2 mt -49.16 -47.55 45.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.7 ttpt -62.35 -31.86 72.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.54 -54.83 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -58.19 -60.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.05 -28.45 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.442 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.5 mmt -68.05 -32.36 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -92.59 -31.58 15.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.8 mmm180 -72.0 -33.5 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -80.66 -39.29 27.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.461 ' N ' HD13 ' A' ' 28' ' ' LEU . 1.4 t -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 29' ' ' THR . 12.3 t70 -83.5 -46.28 12.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -72.94 -179.37 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -95.17 48.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -88.45 -47.7 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp 55.07 28.52 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.2 m -80.61 149.07 67.33 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.32 47.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.23 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -40.63 -44.05 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.87 -58.07 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -67.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.65 -58.51 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -48.44 -67.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' ALA . 6.6 mtpm? -34.31 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.6 -59.11 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.77 -56.92 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -50.86 -31.91 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.2 mmtp -76.46 -45.59 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.0 mm -37.49 -61.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' CD ' HG12 ' A' ' 16' ' ' VAL . 1.6 mp0 -63.32 -52.22 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 39.7 tttm -36.22 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -94.97 -39.04 10.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -60.59 -58.89 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ARG . 26.5 t80 -47.43 -43.74 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -67.89 -55.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.796 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -41.37 -38.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.83 -13.36 16.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 25.2 mtt180 45.94 32.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -174.82 167.68 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 45.0 p -119.71 60.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -100.7 178.91 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.92 -54.17 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' ASN . 19.6 mtmm -50.4 -65.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' A' ' 58' ' ' THR . 29.1 t80 -40.32 -49.2 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -67.08 -36.08 81.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' LYS . 21.5 t-20 -60.95 -37.05 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -71.47 -45.52 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 1.6 t80 -58.02 -60.52 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -25.3 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -78.69 -53.29 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.07 -42.1 49.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 13.5 ptm -82.61 -18.17 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -52.42 -45.32 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.04 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 82' ' ' PHE . 73.4 mt -84.78 -46.06 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -78.09 -3.51 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.81 121.88 84.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.99 8.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -17.53 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -118.05 88.14 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.65 57.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.0 mt -132.06 -58.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LYS . 11.7 tp -42.65 -68.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -38.54 -33.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -80.67 -44.03 19.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' LEU . 50.1 mtmt -61.74 -34.56 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.66 -48.46 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 86' ' ' LEU . 10.1 mp -64.99 -50.85 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.07 -43.87 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.35 -22.99 3.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.6 t -117.13 124.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 150.79 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -16.4 37.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.11 -15.84 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -101.12 -31.56 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.45 -28.93 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -71.65 -53.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -52.72 -24.57 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 40.5 mtp -59.27 154.39 16.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.407 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 1.8 m -91.16 160.4 37.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.92 -45.99 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' CD ' ' HB2' ' A' ' 99' ' ' SER . 1.7 mp0 -57.36 -46.31 83.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.53 -25.11 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.76 -51.79 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.22 -49.41 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -66.0 -54.16 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -48.69 -52.6 22.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.28 -47.74 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 66' ' ' TYR . 93.0 t -45.78 -54.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' CZ ' HG21 ' A' ' 45' ' ' THR . 53.8 mtt180 -43.39 -62.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.23 -58.37 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.48 -64.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.2 -47.3 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 25' ' ' MET . 31.4 ttpt -65.56 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.36 -48.7 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.37 -63.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.7 mt -50.23 -23.69 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -70.05 -38.74 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.01 -27.04 25.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -25.09 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.78 -32.86 14.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.5 t -78.76 -16.39 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -93.05 -42.38 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.3 p -74.63 179.33 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -82.92 41.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.7 mt -102.01 126.96 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -108.74 33.97 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m -77.36 147.45 75.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.28 50.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 2.3 tm-20 -42.21 -44.23 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -44.06 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -69.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.45 -56.66 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -67.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 54.5 mttt -38.44 -54.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG12 ' CG1' ' A' ' 85' ' ' VAL . 55.6 t -51.6 -55.44 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.53 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 17' ' ' ARG . 10.4 m -46.78 -30.52 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 3.7 mptt -78.34 -50.6 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 92' ' ' PRO . 22.8 mm -36.68 -55.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' LYS . 1.4 mp0 -66.35 -54.94 18.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' GLU . 33.9 tttp -36.08 -43.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.1 -54.27 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 2.9 tp -44.01 -61.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -43.72 -46.73 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -64.82 -59.43 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -39.5 -69.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.38 -42.41 87.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 68.76 30.62 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -168.49 150.25 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 p -104.74 58.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -108.72 -178.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.77 -58.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.5 mtmp? -42.39 -64.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 66.1 t80 -34.46 -57.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ASN . 62.8 mttt -61.61 -53.3 58.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 5.2 t-20 -36.31 -44.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -69.86 -59.92 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.53 ' CD1' HG13 ' A' ' 16' ' ' VAL . 3.3 t80 -42.58 -55.36 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 68' ' ' SER . 11.1 ptm180 -56.2 -35.2 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.6 t -68.93 -48.15 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -49.8 -53.9 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.407 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 3.8 ptm -71.28 -30.46 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -39.09 -51.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.7 -44.65 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.6 mt -49.95 -46.25 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ASP . 9.3 ptmm? -75.53 -38.35 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.6 t0 -35.0 116.42 0.54 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.624 0.726 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.88 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -95.55 -29.35 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -104.26 107.9 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -122.21 49.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -127.02 -44.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 tp -49.67 -69.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -39.12 -39.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -69.68 -52.02 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.71 -38.4 72.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' A' ' 43' ' ' VAL . 80.2 t -69.7 -58.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.72 -53.31 56.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -56.24 -46.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 135.72 -26.19 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' GLY . 9.5 mm-40 -37.07 -46.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 91' ' ' THR . 39.2 t -108.94 137.11 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.405 ' N ' HG11 ' A' ' 90' ' ' VAL . 33.6 p -89.89 147.29 37.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' CB ' HD13 ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.8 -5.61 16.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.19 -31.29 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -84.72 -30.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 tp -45.55 -35.09 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.1 mt -73.03 -48.62 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -55.4 -29.68 58.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.07 172.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -105.69 152.52 40.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.89 27.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -98.19 -27.01 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.07 -36.88 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -43.02 -49.56 6.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.99 -41.65 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.49 -56.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -51.6 -52.95 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -49.6 -51.28 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -51.69 -48.5 63.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 66' ' ' TYR . 90.5 t -44.64 -49.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.68 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -40.83 -56.89 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -44.2 -57.35 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.8 mt -50.61 -61.41 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -52.65 -33.33 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.76 -47.17 86.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -69.14 -50.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 86' ' ' LEU . 14.9 mt -64.52 -18.36 64.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 7.0 mmt -77.07 -44.73 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.32 -21.96 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -78.79 -26.1 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 29' ' ' THR . 1.8 pp -89.64 -42.24 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 14.4 t -60.63 -35.42 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.33 -43.51 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -79.6 175.79 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -84.1 61.4 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.4 108.6 17.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -85.79 21.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.0 149.97 90.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.96 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -66.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.85 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.89 -67.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -39.64 -56.8 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.7 t -50.02 -54.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -53.09 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -47.85 -32.26 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 1.3 mptp? -77.38 -52.13 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 HD12 ' CB ' ' A' ' 92' ' ' PRO . 9.9 mm -36.78 -56.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.08 -32.26 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 22.3 tttp -60.76 -38.51 85.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.94 -42.35 12.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tp -52.94 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -54.75 -45.28 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 m -64.56 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.76 -55.32 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 71.5 m-85 -76.65 -18.9 58.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.7 mtt180 52.84 28.54 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.2 m-20 -175.02 171.4 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 63.5 p -110.74 27.94 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.81 -175.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.24 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -66.56 -29.61 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' ' 58' ' ' THR . 24.9 t80 -72.02 -49.01 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -70.62 -45.75 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -45.97 -39.0 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -73.52 -42.68 61.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CD1' HG12 ' A' ' 16' ' ' VAL . 2.3 t80 -59.71 -51.56 69.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 6.2 ppt_? -66.08 -10.48 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -92.66 -53.93 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -48.45 -36.73 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.415 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 17.9 ptm -88.99 -18.48 27.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.33 -32.13 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.78 -29.71 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 70' ' ' MET . 51.2 mt -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -87.77 -3.69 58.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -81.07 126.65 76.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.816 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.36 37.36 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.55 -40.47 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 12.2 t-20 -107.49 84.98 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -96.94 44.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 81' ' ' LEU . 2.9 mt -127.27 -55.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' LYS . 8.7 tp -32.17 -69.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.1 p90 -36.89 -40.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ILE . 32.4 tttm -77.79 -38.65 46.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 81' ' ' LEU . 14.6 mtpp -60.55 -36.92 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.1 t -76.08 -47.38 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 24' ' ' LEU . 6.8 mp -61.89 -48.88 78.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -62.64 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.3 -6.84 5.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.2 mm-40 -54.75 -55.69 27.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -100.6 122.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.36 146.04 88.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.433 ' CB ' HD12 ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.71 -7.02 19.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -106.19 -18.99 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -92.91 -35.09 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -44.48 -24.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.68 -38.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -75.34 -15.66 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 37.8 mmm -68.53 149.03 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 p -84.37 158.71 60.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.672 0.749 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.33 20.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -101.16 -20.34 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -90.75 -28.21 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.5 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 41.3 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.14 -35.78 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.2 -39.01 93.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.67 -69.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' NH1' ' CE2' ' A' ' 52' ' ' PHE . 8.7 ptt180 -47.38 -37.43 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.3 -42.28 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 t -65.99 -40.55 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG13 ' CE1' ' A' ' 66' ' ' TYR . 97.4 t -46.22 -44.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -47.38 -65.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.32 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -40.04 -57.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.05 -54.31 31.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -50.87 -38.71 51.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.27 -50.2 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD12 ' CE ' ' A' ' 70' ' ' MET . 47.1 mt -66.71 -54.25 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.29 -12.79 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.21 -43.67 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.29 -22.78 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 13.9 mmm180 -80.27 -28.17 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -86.77 -37.06 18.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.414 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -72.44 -22.91 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -92.15 -43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -67.04 -178.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -85.61 31.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -94.04 147.29 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -125.94 13.19 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.29 147.78 86.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.595 0.712 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.21 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.97 -36.17 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -50.87 -54.64 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.68 -53.41 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.79 -56.71 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.38 -65.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 32.6 mttm -35.47 -59.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' CG1' ' CG1' ' A' ' 85' ' ' VAL . 90.4 t -52.84 -52.43 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.82 66.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -63.9 -30.61 71.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -73.98 -41.48 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.7 mm -40.83 -61.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -63.4 -45.68 89.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -44.31 -38.45 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.52 -43.22 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.38 -61.95 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' NH1' ' A' ' 13' ' ' ARG . 71.5 t80 -52.09 -26.34 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -82.16 -28.4 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 6.0 t80 -80.87 -50.8 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.82 -17.0 56.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 49.39 31.5 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -173.94 158.0 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 p -116.15 39.98 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -89.18 -175.21 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.84 -63.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' TYR . 16.7 mttm -40.31 -63.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' LYS . 71.4 t80 -36.72 -58.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASN . 50.4 mttt -59.22 -51.49 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LYS . 50.1 t30 -35.74 -43.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.22 -52.92 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.41 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -52.03 -59.22 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 3.9 ptm85 -50.26 -27.06 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -81.45 -28.39 34.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.36 -39.29 28.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.453 ' SD ' ' CE ' ' A' ' 74' ' ' LYS . 3.1 ppp? -86.39 -17.48 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 2.7 t80 -65.31 -43.43 91.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -75.11 -26.67 59.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.84 -43.96 90.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' CE ' ' SD ' ' A' ' 70' ' ' MET . 12.3 ptpt -79.81 -27.53 40.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 m-20 -52.82 131.9 47.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.08 21.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.24 -23.64 66.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -112.68 90.95 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 41.58 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.432 ' CG2' ' HE2' ' A' ' 84' ' ' LYS . 3.0 mm -125.21 -60.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 tp -41.26 -62.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 27' ' ' ARG . 2.5 p90 -40.44 -32.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' LYS . 28.5 ttmt -86.25 -64.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' CB ' HG21 ' A' ' 90' ' ' VAL . 28.5 mmtt -34.37 -38.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.467 ' CG1' ' CG1' ' A' ' 43' ' ' VAL . 76.8 t -67.37 -51.19 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' LYS . 9.1 mp -65.74 -51.18 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -56.58 -42.8 79.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.88 10.91 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LYS . 68.4 mm-40 -80.11 -45.25 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 84' ' ' LYS . 21.4 t -104.91 121.47 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.29 155.12 82.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -39.58 6.22 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.58 -29.91 69.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 97' ' ' ARG . 14.9 t60 -81.44 -40.47 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tt -39.77 -26.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 94' ' ' HIS . 10.0 mt -83.64 -41.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' HIS . 76.0 mtp180 -66.66 -26.54 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.1 mtp -55.36 158.2 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -87.3 156.61 54.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -109.66 -27.36 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -78.83 -36.61 42.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.352 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -36.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -74.13 -36.89 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm -45.6 -50.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.53 -53.98 23.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -43.86 -47.55 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -51.79 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 66' ' ' TYR . 93.2 t -45.64 -49.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' HIS . 43.9 mtm180 -48.84 -70.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.507 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.1 t-160 -37.21 -58.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -44.98 -64.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.95 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.2 ttpt -50.48 -35.73 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.28 -46.64 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 46.2 mt -71.01 -55.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.19 -9.45 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.7 mmt -82.12 -40.78 21.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -20.16 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -81.31 -32.78 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -79.26 -40.07 31.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 30' ' ' ASP . 1.7 t -69.94 -22.26 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 29' ' ' THR . 5.2 t70 -81.04 -37.29 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -85.05 -177.51 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -94.36 30.13 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.84 -38.04 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttm 47.65 38.59 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -89.34 148.75 41.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.15 47.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -41.19 -36.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -49.6 -58.44 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' NZ ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -38.47 -66.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.92 -57.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.93 -64.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.4 mtmt -33.8 -52.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.69 -59.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.08 -37.89 35.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.9 m -59.27 -36.83 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -37.24 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -41.23 -57.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' OE2' ' CG2' ' A' ' 16' ' ' VAL . 4.7 mm-40 -72.48 -26.89 61.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -57.99 -40.85 81.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -89.62 -37.62 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 62' ' ' TYR . 5.7 tp -57.04 -48.79 77.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.34 -24.74 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.8 t -85.17 -21.97 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -82.4 -49.74 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -85.5 -30.05 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 63.99 30.54 14.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.44 163.97 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -112.42 50.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -95.85 -175.7 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.09 57.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -67.91 -21.61 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE1' HD22 ' A' ' 51' ' ' LEU . 86.4 t80 -82.26 -50.56 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -71.45 -51.65 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -38.61 -41.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -72.78 -43.62 62.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 16' ' ' VAL . 2.4 t80 -53.39 -52.64 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 2.6 ptm85 -64.77 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -65.69 -36.92 85.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.5 mt -80.8 -39.31 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.434 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 2.4 ppp? -78.3 -13.58 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.31 -44.04 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -68.56 -20.44 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.69 -46.93 62.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -73.79 -29.64 62.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.2 129.94 12.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.88 23.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -10.31 59.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -124.81 92.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -111.07 2.57 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.9 mt -95.24 -33.98 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.56 -59.58 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CE2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -49.04 -34.76 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 31.1 mttt -73.57 -68.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 41.3 mtmt -34.26 -40.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.4 -53.17 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 86' ' ' LEU . 10.3 mp -61.01 -52.42 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -57.54 -35.86 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 125.69 -28.99 4.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 19.8 mm-40 -34.94 -43.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -117.2 112.17 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -68.1 149.95 97.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.569 0.699 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.98 35.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -100.68 -4.05 29.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -110.35 -32.05 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.35 -24.84 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.8 mt -80.21 -42.6 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.16 -19.23 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 mtm -75.91 134.48 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 156.4 38.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -19.11 36.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -89.18 -16.2 31.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.78 -16.94 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.0 -54.83 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -55.7 -52.98 62.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.22 -57.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -56.63 -49.88 73.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -44.31 -54.39 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -53.33 -42.3 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 66' ' ' TYR . 74.8 t -54.96 -55.56 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -52.54 -63.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -47.16 -61.09 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -43.63 -59.25 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.53 -54.68 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -58.75 -36.41 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -55.17 -45.92 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.22 -62.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -48.86 -22.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 mmt -75.24 -45.18 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -12.4 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.513 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 15.6 mmm180 -94.22 -39.64 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.62 -40.77 40.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -68.63 -18.84 64.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.46 -30.19 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m -90.15 -177.56 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -81.4 46.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -105.85 -65.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 57.29 31.54 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.59 151.42 84.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -38.07 -37.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -50.29 -48.02 55.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -60.82 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.51 -58.11 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -51.92 -66.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.2 mtpm? -34.08 -56.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 ' CG1' ' A' ' 85' ' ' VAL . 89.9 t -55.09 -56.4 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.1 -48.09 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.3 m -55.38 -33.75 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -43.69 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD13 ' CB ' ' A' ' 92' ' ' PRO . 48.2 mm -37.95 -58.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -65.25 -38.58 90.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -49.31 -36.08 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.89 -49.56 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.4 tp -51.62 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -42.4 -37.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -81.15 -27.46 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 51' ' ' LEU . 49.1 t80 -69.75 -45.71 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -93.98 -27.13 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 61.51 35.18 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -174.89 152.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 p -111.15 56.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -111.6 -179.5 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.29 -54.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.35 -43.27 33.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ASP . 46.4 t80 -56.96 -67.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . 23.8 mttt -51.95 -53.9 35.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . 21.9 t30 -34.44 -45.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -75.81 -53.81 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.421 ' CE1' HG11 ' A' ' 16' ' ' VAL . 1.5 t80 -43.11 -49.73 6.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 12.1 ptt180 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.2 t -64.46 -35.5 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.4 -48.59 80.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.6 ptm -83.51 -26.67 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -43.67 -36.5 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 78' ' ' ASN . 10.3 m-80 -91.77 -27.53 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 82' ' ' PHE . 91.0 mt -66.34 -43.31 86.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -28.69 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.45 141.29 93.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.8 Cg_endo -69.8 -50.44 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -28.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 6.3 m-20 -116.94 86.41 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.403 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 18.3 p30 -105.56 36.49 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 10.1 mm -130.82 -56.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' ILE . 12.6 tp -33.5 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 27' ' ' ARG . 10.3 p90 -44.48 -41.1 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ILE . 22.1 ttmt -68.48 -57.7 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 83' ' ' LYS . 4.5 mmpt? -35.86 -53.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 43' ' ' VAL . 37.5 t -56.78 -44.15 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 83' ' ' LYS . 10.5 mp -65.37 -56.12 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -55.72 -52.3 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.81 27.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -99.71 -48.24 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.66 116.73 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.2 p -66.81 146.87 99.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.709 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.8 -16.31 37.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.46 -39.53 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ARG . 21.6 t60 -71.91 -39.12 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' HIS . 2.5 tt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 51' ' ' LEU . 20.2 mt -74.83 -46.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' HIS . 62.9 mtp180 -79.48 -8.11 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 mtp -57.41 133.67 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -64.53 161.32 44.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -9.34 25.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -102.09 -23.63 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.72 -42.1 29.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 80.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.3 t0 -34.94 -42.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.91 -52.69 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.2 -50.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -60.35 -41.69 94.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -54.24 -53.65 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.8 m -54.56 -43.93 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.527 HG11 ' CE1' ' A' ' 66' ' ' TYR . 74.2 t -47.49 -43.39 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtt85 -57.9 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -46.57 -50.9 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -50.54 -54.58 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.06 -51.32 69.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.8 ttpt -60.76 -30.38 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.39 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.34 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.42 -17.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.8 mmt -78.45 -53.89 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.64 -17.17 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -85.96 -32.86 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -83.08 -41.83 18.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t -58.7 -36.78 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.17 -7.23 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LEU . 24.2 m -103.11 31.8 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 39.34 26.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.5 mt -74.72 113.47 12.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -86.66 38.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.75 149.35 40.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.72 51.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -47.81 -35.15 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -56.34 -42.41 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.87 -55.8 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -46.88 -67.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 47.2 mttt -37.36 -55.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.71 -52.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.56 69.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.3 m -50.45 -25.59 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 23.2 mttt -85.41 -45.38 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 92' ' ' PRO . 32.9 mm -37.45 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.0 -55.55 21.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . 62.5 tttm -36.79 -35.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.82 -37.44 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 62' ' ' TYR . 3.0 tp -64.45 -59.31 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ARG . 33.9 t80 -50.82 -43.92 59.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -66.14 -51.63 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -45.63 -65.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -71.98 -43.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 16.6 ttt180 72.12 30.55 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -171.12 148.73 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.4 p -99.81 57.55 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -103.14 -178.73 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.64 -46.32 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -52.83 -59.57 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.48 ' CE1' HD23 ' A' ' 51' ' ' LEU . 79.4 t80 -49.61 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -44.82 -47.8 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.15 -50.04 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.03 -36.43 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CE1' HG11 ' A' ' 16' ' ' VAL . 1.9 t80 -65.69 -61.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -12.1 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -88.12 -38.44 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.36 -50.64 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.504 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 12.0 ptm -71.43 -33.86 69.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -42.43 -40.92 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -82.98 -32.28 27.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.5 mt -57.69 -49.68 75.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -68.03 -29.25 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.0 t0 -36.87 119.7 0.78 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.84 28.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.286 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -8.09 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -115.37 90.52 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.25 47.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' LEU . 24.4 mt -132.2 -58.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' ILE . 6.5 tp -34.6 -68.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 9.6 p90 -41.77 -44.3 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 23.3 ttmt -65.24 -46.69 79.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -59.74 -41.09 90.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.0 -56.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.6 mp -56.56 -51.41 68.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -57.47 -50.43 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.46 -18.49 2.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.08 -34.2 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.37 149.69 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.18 153.07 38.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' CB ' HD13 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.71 -13.26 34.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -91.59 -45.38 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -70.81 -33.07 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.0 tp -43.21 -31.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.9 mt -72.49 -49.74 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -56.52 -29.54 61.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 47.0 mmm -52.4 152.18 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -81.69 152.56 69.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.35 -17.23 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.08 -45.27 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.753 0.311 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 -43.33 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.44 -51.1 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -50.6 -59.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -53.52 -50.18 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -50.91 -52.31 43.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -50.95 -46.11 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -45.94 -49.07 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.61 -68.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' SER . 56.0 t-80 -53.21 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.449 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 2.2 m -36.48 -52.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.93 -59.43 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' HE2' ' CB ' ' A' ' 41' ' ' ALA . 9.8 ttmt -47.57 -50.28 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.5 t0 -34.39 -53.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 45.5 mt -63.74 -61.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.2 mt -54.09 -17.13 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 4.9 mmt -79.7 -43.95 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.03 -19.37 34.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -84.25 -39.14 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -75.12 -32.23 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.5 t -77.76 -18.1 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 -41.15 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -71.61 179.79 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.98 38.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.2 mt -106.71 125.33 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -103.08 50.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -92.06 147.52 34.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 111.148 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 168.84 20.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -68.78 -25.33 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.36 -35.04 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 -69.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -54.2 -61.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . . . -35.56 -49.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 32.4 mttm -59.47 -52.2 66.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.66 -58.58 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.98 -48.69 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -56.97 -34.99 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 50' ' ' GLU . 3.1 mptp? -70.14 -50.51 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 92' ' ' PRO . 3.1 mm -45.23 -51.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.09 -22.64 64.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -73.85 -49.22 26.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 46' ' ' LYS . 2.0 pm0 -78.16 -50.73 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.0 tp -44.68 -59.93 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.59 -42.58 56.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.9 t -70.57 -29.25 65.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.29 -67.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 76.7 m-85 -78.1 -31.35 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 63.44 32.45 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -174.19 132.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.1 p -75.72 56.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -98.38 176.11 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -29.44 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -31.35 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 9.0 t80 -79.83 -45.2 19.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -40.64 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.98 -35.2 61.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.94 -44.32 31.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' OH ' ' CB ' ' A' ' 19' ' ' SER . 1.2 t80 -56.48 -55.06 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -62.04 -30.7 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' PHE . 3.6 m -70.3 -61.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.45 -40.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.431 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 3.1 ptm -88.42 -24.41 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' SER . 68.2 t80 -47.15 -45.87 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 10.3 m-80 -81.54 -40.91 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.5 mt -51.14 -54.43 25.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -60.33 -11.88 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 t70 -72.57 140.02 81.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.7 -5.47 16.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -95.54 -40.76 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.41 78.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.592 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 17.3 m120 -96.75 -33.94 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.5 mt -78.91 -31.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -53.02 -65.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 79' ' ' ASN . 2.8 p90 -56.23 -50.03 72.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 13.4 ttmt -55.03 -35.44 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -70.01 -44.37 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -74.77 -53.58 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -56.0 -37.15 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 132.71 -28.25 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.6 mm-40 -34.6 -56.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 91' ' ' THR . 20.2 t -107.03 136.72 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -90.52 156.0 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.457 ' CB ' HD12 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.72 -10.59 28.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.43 -37.02 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -84.12 -24.45 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -52.24 -21.68 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.12 -51.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -57.32 -21.4 34.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.4 mtp -49.28 154.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -99.27 156.6 35.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -26.34 27.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.67 -18.32 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -90.75 -41.87 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -38.02 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -74.55 -30.79 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' CG1' ' HA ' ' A' ' 9' ' ' ALA . 15.5 mm -49.72 -60.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.78 96.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -49.71 -53.59 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -56.87 -46.32 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -50.72 -42.64 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.38 -67.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -45.78 -33.76 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.9 m -67.9 -64.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 52.4 mt -48.17 -47.2 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 20.1 ttpt -56.0 -56.26 22.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.5 t70 -34.74 -60.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 mt -49.7 -63.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -48.95 -33.56 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.425 ' CE ' ' HG3' ' A' ' 37' ' ' GLU . 12.0 mtp -71.3 -67.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -24.57 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.02 -57.25 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -56.13 -39.32 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -63.15 -28.75 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.58 -54.9 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -56.66 -177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -98.64 59.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -106.63 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.4 32.36 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -81.71 148.31 61.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 144.58 54.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.411 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 10.1 tt0 -43.17 -46.62 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -43.4 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.38 -53.27 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.17 62.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.2 mttt -53.42 -54.54 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.43 HG11 ' CG1' ' A' ' 85' ' ' VAL . 88.5 t -51.66 -57.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.99 -43.92 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -61.61 -31.38 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mptm? -76.63 -44.42 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -37.24 -74.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 mp0 -46.8 -56.71 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 21.7 tttt -34.7 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.5 tp10 -92.5 -51.25 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 62' ' ' TYR . 9.0 tp -50.22 -59.66 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.29 -25.54 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -85.71 -15.31 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -94.76 -38.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -90.1 -38.11 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.8 mtt85 60.91 32.15 20.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -171.07 118.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -80.43 55.35 2.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -106.12 -178.46 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -37.1 -65.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.5 mtpt -36.38 -63.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 51' ' ' LEU . 44.7 t80 -39.09 -51.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -65.15 -45.04 86.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.36 -47.77 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.2 -54.96 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -44.52 -54.9 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 68' ' ' SER . 7.4 ptm180 -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 39.3 m -76.62 -24.08 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.31 -42.74 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.439 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 11.6 ptm -87.94 -24.71 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 26.2 t80 -54.54 -34.41 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -89.44 -28.83 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 70' ' ' MET . 40.2 mt -62.03 -36.43 81.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 10.8 ptmm? -83.73 -30.09 26.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.8 t0 -36.98 120.28 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.94 29.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -97.15 -18.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 78' ' ' ASN . 7.0 t30 -89.32 -75.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 40.58 41.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 84' ' ' LYS . 2.4 mm -129.32 -49.5 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.449 ' CD2' HD22 ' A' ' 103' ' ' LEU . 8.4 tp -56.72 -52.31 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 2.3 p90 -48.32 -41.29 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 15.5 ttmt -76.83 -37.35 55.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 80' ' ' ILE . 14.1 mtpt -57.47 -53.96 52.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.438 HG21 ' CD1' ' A' ' 95' ' ' LEU . 25.4 t -59.81 -49.02 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.56 -58.17 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -55.93 -31.4 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.97 -23.11 6.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.67 -66.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 91' ' ' THR . 15.9 t -92.59 155.87 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 17.9 p -103.09 150.02 37.46 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.37 25.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 -44.35 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 95' ' ' LEU . 33.6 t60 -70.2 -36.55 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 85' ' ' VAL . 4.4 tt -37.21 -40.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.77 -49.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -57.3 -21.89 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.8 mtp -64.47 163.66 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -99.16 159.61 29.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 0.86 5.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -107.83 -33.3 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.04 -41.72 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 81' ' ' LEU . 13.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -142.61 147.37 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -115.85 37.23 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.56 -163.91 37.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 p -122.61 40.02 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -92.94 159.64 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.2 150.45 5.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -96.47 121.9 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.88 -43.71 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.03 -50.98 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -46.74 -61.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.2 mt -41.02 -53.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 52' ' ' PHE . 31.6 mtt180 -61.33 -47.83 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -51.48 -59.9 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -49.02 -49.66 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.491 HG12 ' CE1' ' A' ' 66' ' ' TYR . 95.6 t -43.44 -43.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -54.56 -65.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -52.15 -58.48 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m -39.62 -53.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.08 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -42.0 -36.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.82 -52.19 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mt -61.24 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.66 -12.04 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mmt -90.89 -51.22 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -17.52 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -89.08 -56.66 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -57.66 -41.75 82.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 30' ' ' ASP . 3.0 t -58.3 -29.21 65.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 29' ' ' THR . 4.9 t70 -94.9 -11.27 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -97.46 23.5 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m120 45.2 26.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.17 116.74 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -84.44 37.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.25 147.93 38.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.64 35.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -44.22 -31.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.78 -39.86 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.53 -66.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.08 -52.26 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.9 -67.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -38.25 -57.93 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG13 ' CG1' ' A' ' 85' ' ' VAL . 72.0 t -48.45 -52.5 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.38 -66.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.9 m -42.82 -33.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' ILE . 13.8 mmtm -71.36 -48.61 49.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.4 mm -36.83 -48.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -67.5 -45.49 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -54.58 -27.51 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 4.0 mm-40 -93.44 -41.21 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.07 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 13' ' ' ARG . 38.3 t80 -45.28 -28.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 t -78.85 -67.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -44.35 -37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.59 -37.48 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 60.77 26.03 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -166.56 153.56 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.3 p -110.23 55.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' ALA . 4.1 t70 -99.99 175.07 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -37.55 -57.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -44.44 -58.53 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -41.53 -48.06 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -68.73 -41.41 79.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -51.2 -45.57 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -68.4 -43.95 76.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CE1' HG12 ' A' ' 16' ' ' VAL . 3.9 t80 -58.46 -56.99 15.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -60.7 -17.15 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -88.39 -19.23 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.9 mt -86.38 -48.53 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 ptm -76.09 -19.38 58.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.05 -38.44 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -77.83 -6.92 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.4 mt -91.0 -44.34 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 8.0 t70 -43.04 139.97 2.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -34.31 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.75 -48.61 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -79.46 104.68 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -123.98 20.65 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.76 -35.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 tp -45.78 -61.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 83' ' ' LYS . 20.9 p90 -50.3 -27.92 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 22.9 mttt -85.05 -30.21 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -64.0 -55.56 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.417 ' CG1' HG13 ' A' ' 43' ' ' VAL . 37.5 t -62.13 -45.55 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 9.6 mp -60.79 -58.12 9.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -55.96 -40.84 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.07 -18.53 4.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -42.14 -51.05 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.54 HG22 ' CH2' ' A' ' 111' ' ' TRP . 61.4 t -112.02 151.09 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.02 152.91 37.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.11 20.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -98.89 -45.35 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -73.84 -32.59 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -46.19 -28.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 12.9 mt -76.19 -38.77 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 mtp-105 -71.59 -19.63 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.4 mtp -59.92 125.83 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -65.47 158.23 74.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.52 31.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -98.94 -12.33 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.57 -38.61 11.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.7 mt -48.42 -24.57 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.62 -21.9 17.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.2 t -42.03 -39.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt 43.02 42.76 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -91.22 147.72 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.3 tp -103.46 -72.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.48 -30.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.7 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.54 ' CH2' HG22 ' A' ' 90' ' ' VAL . 27.3 m95 -46.15 -60.68 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -174.98 133.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -91.72 55.03 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -110.65 -32.07 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 p -129.67 122.98 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.07 71.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.56 16.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.8 t 51.71 45.69 27.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.3 m -85.4 109.35 18.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -151.75 163.58 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -131.15 74.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.64 -36.35 0.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -126.04 118.94 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -83.71 106.61 15.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -132.87 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 t -160.87 115.42 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.36 -41.63 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.31 -48.48 76.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.32 -51.56 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.9 mt -43.52 -58.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.4 -47.36 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.76 -57.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -52.94 -43.85 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.419 HG12 ' CD ' ' A' ' 48' ' ' GLU . 55.2 t -52.31 -51.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -47.98 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -40.74 -45.33 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 m -57.28 -50.24 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.8 mt -58.58 -45.06 89.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 22.9 ttpp -66.27 -33.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.48 -56.44 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HD12 ' NZ ' ' A' ' 74' ' ' LYS . 50.6 mt -58.43 -65.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 86' ' ' LEU . 14.4 mt -47.45 -36.5 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 9.1 mmt -61.01 -34.92 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -86.88 -26.59 23.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -78.17 -25.71 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.75 -34.03 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -79.11 -29.88 43.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -34.47 57.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -88.17 -176.05 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -88.26 45.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.32 129.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -105.93 11.88 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.6 149.18 31.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 157.92 58.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -64.23 -21.75 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.94 -24.88 59.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -58.52 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.0 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.82 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -48.87 -47.0 43.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 85' ' ' VAL . 40.3 t -59.34 -62.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.82 -49.91 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -54.86 -36.84 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -75.21 -14.68 60.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -76.06 -53.38 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.7 -48.94 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -46.77 -31.89 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG2' ' CB ' ' A' ' 93' ' ' ASP . 20.8 tp10 -92.44 -42.94 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.1 tp -56.27 -61.4 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -49.52 -31.31 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -74.61 -63.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -43.84 -54.08 5.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.14 -38.69 60.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 70.91 25.86 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -168.96 164.82 11.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.52 ' HA ' ' CG ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -122.44 56.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' TYR . 12.1 p-10 -113.6 -173.88 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.89 -51.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -55.69 -39.24 70.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.6 t80 -64.67 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -51.87 -48.87 63.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.75 -51.01 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 69' ' ' LEU . 14.1 tppt? -66.03 -43.33 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -58.78 -62.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 67' ' ' ARG . 4.2 ptp180 -55.1 -20.5 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -81.27 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD2' ' HD2' ' A' ' 65' ' ' LYS . 14.9 mt -41.64 -36.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 73' ' ' LEU . 16.8 ptm -87.06 -32.71 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -39.26 -38.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 2.7 m-80 -84.61 -35.35 22.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' MET . 56.4 mt -57.71 -47.99 80.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' NZ ' HD12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -68.8 -15.07 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.45 138.93 96.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -21.35 33.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -81.19 -44.43 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 72' ' ' ASN . 23.9 m120 -68.53 84.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 2.3 p30 -105.65 -5.4 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mt -101.3 -42.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' N ' ' HZ3' ' A' ' 84' ' ' LYS . 11.6 tp -51.57 -61.77 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 83' ' ' LYS . 1.5 p90 -49.82 -20.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 20.3 mttm -90.29 -33.09 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' HZ3' ' N ' ' A' ' 81' ' ' LEU . 33.0 mtmm -70.21 -37.87 75.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 43' ' ' VAL . 20.3 t -70.22 -40.63 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 86' ' ' LEU . 10.1 mp -70.9 -56.28 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -56.27 -49.37 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 141.5 -26.26 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLY . 32.5 mt-10 -36.08 -37.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.58 124.76 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 p -76.03 150.42 83.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.03 22.86 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' CB ' ' HG2' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.0 -22.99 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' ARG . 33.5 t60 -90.17 -31.71 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.6 tp -46.69 -20.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.23 -34.07 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' HIS . 52.2 mtt85 -74.89 -22.33 58.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 36.8 mtp -58.56 158.94 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -85.04 151.15 56.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.1 37.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.44 -11.36 25.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.22 -29.16 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.84 -19.54 42.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.75 -35.86 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -46.07 143.05 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -116.56 52.68 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.62 142.97 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -126.11 -11.13 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -14.6 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' ARG . 21.9 m95 -60.95 148.59 39.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 112' ' ' ARG . 8.8 ttp-105 -34.49 -58.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.8 tpt180 -36.09 134.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -109.42 127.25 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t 47.78 49.15 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.26 -75.73 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.6 Cg_endo -69.74 -15.27 37.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 117' ' ' PRO . 9.1 t -35.93 -54.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -58.62 110.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -104.42 84.22 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -63.7 158.35 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.92 139.32 4.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 m -139.42 135.57 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m -58.35 94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.97 137.47 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -114.06 159.23 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.15 -42.21 99.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -28.89 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.56 -73.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -47.23 -32.91 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.43 -65.55 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -46.49 -35.29 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 72.0 t -49.7 -59.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 20.9 mtm180 -36.24 -65.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -38.68 -53.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' ASP . 1.3 t -52.32 -67.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -38.72 -45.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.37 -38.8 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' SER . 9.3 t0 -54.29 -49.85 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.28 -60.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 86' ' ' LEU . 13.8 mt -53.53 -28.74 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 mmt -68.56 -31.36 70.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -91.96 -33.63 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 19.8 mmm180 -71.14 -24.64 62.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -90.96 -32.81 15.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -75.32 -26.69 58.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -84.19 -36.41 22.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.5 p -77.45 -176.26 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -88.71 40.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.03 129.93 46.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -106.99 20.19 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -64.45 149.0 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.45 27.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.06 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.34 -33.52 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.57 -51.11 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -54.98 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.7 mttp -35.26 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -61.53 -59.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.98 -43.79 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ILE . 7.4 mmtp -81.61 -47.46 13.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 HD12 ' CB ' ' A' ' 92' ' ' PRO . 8.5 mm -36.9 -69.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.65 -40.28 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -56.69 -38.01 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -83.19 -41.72 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 62' ' ' TYR . 3.9 tp -64.37 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -56.87 -32.58 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.1 t -78.44 -22.67 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -81.01 -45.72 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.18 -19.64 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 54.62 26.84 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 58' ' ' THR . 65.9 t0 -173.38 142.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 p -93.48 55.31 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -98.15 -175.14 3.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.13 -41.49 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -59.99 -20.06 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -91.41 -46.15 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.93 -48.91 79.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -47.01 -47.56 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -65.55 -40.04 92.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.415 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 1.5 t80 -56.78 -64.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 1.5 ptp180 -51.75 -35.76 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 t -63.81 -35.91 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.39 -51.51 59.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.415 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 8.7 ptm -75.3 -19.28 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.9 -32.24 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 103' ' ' LEU . 8.1 m-80 -91.3 -7.33 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 mt -95.19 -33.78 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.65 -24.14 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.45 136.01 91.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -29.88 23.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -2.04 21.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 34.0 t-20 -131.85 112.74 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -130.44 24.39 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 83' ' ' LYS . 12.7 mt -114.92 -53.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' ILE . 10.7 tp -36.64 -60.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 83' ' ' LYS . 2.3 p90 -52.38 -33.72 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 31.8 mtpt -74.33 -39.15 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -70.38 -35.66 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.98 -36.35 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 24' ' ' LEU . 10.7 mp -82.31 -49.61 9.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -59.09 -45.48 90.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.79 -22.11 4.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -43.45 -25.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.564 HG21 ' CH2' ' A' ' 111' ' ' TRP . 19.9 t -126.72 140.31 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.71 148.66 35.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.42 ' CB ' HD12 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -5.45 16.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.84 -17.55 14.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -99.22 -32.65 11.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -47.09 -27.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 50' ' ' GLU . 28.8 mt -74.92 -53.31 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -54.15 -24.02 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 43.3 mtp -53.04 140.65 24.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -80.71 156.3 72.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -1.94 9.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.35 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -103.93 -31.4 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.99 -43.12 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.482 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 11.1 mt -42.8 -42.42 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -78.16 -45.07 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 104' ' ' ALA . 12.8 t -35.14 146.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -121.47 47.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.79 147.32 26.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -42.0 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.2 -23.04 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.55 -54.06 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CH2' HG21 ' A' ' 90' ' ' VAL . 25.1 m95 -67.32 151.72 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -63.38 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -110.0 35.53 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -67.5 -56.67 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -129.83 100.94 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.36 147.18 50.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.18 3.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 m -77.55 83.54 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.9 p -83.75 160.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 p -156.09 161.74 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -128.75 -47.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.76 -93.37 2.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t 45.29 40.06 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.349 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -125.49 122.27 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.15 -44.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -86.3 151.91 23.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.48 -57.87 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.75 -46.82 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.82 -48.71 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.5 mt -48.18 -52.88 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 11.6 mtp-105 -59.48 -48.36 81.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -56.57 -42.77 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 22.6 t -64.84 -57.29 9.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG12 ' CE1' ' A' ' 66' ' ' TYR . 62.0 t -34.51 -50.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' HIS . 59.3 mtt180 -46.63 -71.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' ARG . 2.4 t-160 -35.22 -59.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.43 -51.06 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.49 -54.46 35.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 25' ' ' MET . 1.8 ttpm? -55.73 -25.17 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.21 -41.47 77.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 86' ' ' LEU . 30.9 mt -51.94 -19.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -71.72 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -23.18 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HB3' ' CD2' ' A' ' 82' ' ' PHE . 26.8 mmm180 -78.6 -43.17 27.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 35' ' ' VAL . 1.3 pp -75.75 -42.02 51.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -63.33 -23.26 67.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -91.09 -25.49 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -95.45 160.5 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -55.3 -17.43 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt -38.82 -57.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 50.97 26.62 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' CG2' HD23 ' A' ' 28' ' ' LEU . 18.4 m -65.87 151.26 95.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 139.28 40.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 22.8 tt0 -42.21 -29.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.68 -45.1 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -60.66 -68.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.55 -44.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' HD3' ' A' ' 21' ' ' LYS . . . -69.16 -37.64 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . 27.3 mtmt -58.78 -41.61 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG13 ' CG1' ' A' ' 85' ' ' VAL . 78.6 t -59.38 -61.62 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.73 -49.67 37.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.5 m -50.22 -39.33 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 4.1 mptt -73.7 -46.68 44.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 92' ' ' PRO . 27.2 mm -37.55 -66.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.99 -52.47 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -38.64 -44.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -82.65 -43.67 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 4.5 tp -59.34 -68.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 74.2 t80 -39.92 -30.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -50.2 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -51.55 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.35 -24.58 65.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 51.48 31.29 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -172.57 149.77 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -100.62 54.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 60' ' ' ALA . 23.9 t70 -97.93 170.96 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.7 -49.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 28.5 mttt -48.68 -61.3 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' LYS . 68.9 t80 -34.67 -58.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 56.6 mttt -58.67 -53.38 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LYS . 8.3 t30 -37.0 -49.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.63 -54.9 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE1' HG12 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -43.35 -55.02 4.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 68' ' ' SER . 8.4 ptp180 -57.3 -36.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 3.9 m -67.68 -39.8 84.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.65 -39.36 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.5 ptm -89.51 -23.15 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -53.26 -40.48 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.2 m-80 -81.44 -18.02 46.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.62 -45.42 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -70.49 -42.52 71.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.06 138.16 7.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -41.17 4.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -55.22 -24.99 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 m120 -100.54 97.29 8.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -120.86 25.24 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mm -123.57 -32.69 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.27 -62.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 27' ' ' ARG . 2.8 p90 -41.78 -30.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LYS . 15.3 ttmm -84.74 -68.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 40.0 mtmt -34.27 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' A' ' 43' ' ' VAL . 48.1 t -68.4 -49.77 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 24' ' ' LEU . 9.5 mp -64.83 -53.5 45.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -55.98 -32.63 64.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 123.46 -28.71 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 39.9 mm-40 -34.62 -44.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -118.6 133.76 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.1 p -85.13 148.33 50.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' CB ' HD11 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.71 -15.17 37.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -32.9 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -85.97 -29.85 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 98' ' ' MET . 4.8 tt -47.59 -22.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -79.14 -45.65 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -71.28 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.425 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 mmm -63.29 162.89 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -95.27 155.36 38.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.44 36.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -103.11 -11.33 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -88.54 -34.1 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.26 -29.32 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.23 11.07 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -78.68 111.25 14.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.02 -44.55 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -41.88 157.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -114.93 -46.33 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -44.38 -43.05 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -39.61 -41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.481 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 29.0 m95 -54.49 -65.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -156.29 150.12 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -92.98 151.92 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -118.34 -66.94 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.8 m 58.05 53.32 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.25 -157.82 11.23 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.91 4.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 m -79.95 52.12 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p 43.42 45.14 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.522 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -76.59 143.41 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -156.51 120.25 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.06 127.86 4.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -173.97 174.11 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -67.03 -55.01 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.36 141.79 14.92 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -75.56 97.21 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.06 -41.09 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.27 -31.5 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' ILE . 28.0 tp60 -72.97 -59.22 2.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLN . 80.3 mt -37.7 -45.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -67.69 -47.21 70.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -53.77 -54.13 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -38.72 65.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 66' ' ' TYR . 86.8 t -57.85 -40.83 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' CZ ' HG22 ' A' ' 45' ' ' THR . 66.7 mtt180 -62.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' SER . 16.0 m170 -44.86 -62.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.2 t -36.77 -64.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -42.53 -57.64 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -53.86 -30.86 47.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.96 -48.37 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 mt -65.02 -63.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 mt -49.43 -25.77 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.1 mmt -69.97 -65.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.66 58.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -87.45 -34.21 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -84.0 -40.77 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 t -61.2 -23.22 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.76 -39.14 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -76.09 173.14 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 38.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 8.3 mt -84.33 -56.69 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt 59.2 45.74 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.5 151.89 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.99 55.96 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -45.91 -38.6 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -48.6 -38.43 20.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -66.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.05 -60.53 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.73 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 37.1 mtpt -39.38 -54.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 85' ' ' VAL . 45.8 t -57.26 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.23 -34.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 17' ' ' ARG . 20.2 m -67.96 -38.71 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -71.53 -45.06 63.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.9 mm -37.24 -60.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' CD ' HG13 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -67.59 -45.53 75.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -43.83 -32.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -44.02 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 62' ' ' TYR . 6.5 tp -58.58 -59.5 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -45.91 -38.94 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.8 t -73.39 -48.39 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.33 -44.59 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.63 -17.0 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 38.07 32.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 1.3 p30 -174.6 141.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -94.34 59.11 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -95.43 170.36 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.55 -44.26 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' TYR . 24.0 mtmt -56.06 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE1' HD22 ' A' ' 51' ' ' LEU . 66.5 t80 -34.68 -64.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -57.78 -51.93 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -41.27 -40.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.52 -43.43 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -52.96 -17.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -87.9 -57.35 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.1 mt -49.82 -32.24 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.42 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 20.8 ptm -89.33 -23.26 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -37.79 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.13 -37.13 78.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.93 -58.43 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 70' ' ' MET . 9.6 ptpp? -69.31 -33.15 72.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.6 t70 -38.31 134.53 0.92 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -26.51 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -80.92 -36.22 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -99.02 98.78 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -121.71 40.06 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' LYS . 11.0 mt -129.65 -50.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' ILE . 10.4 tp -36.46 -63.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 83' ' ' LYS . 5.3 p90 -39.79 -39.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 19.5 tttm -79.11 -44.67 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -51.36 -43.79 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 43' ' ' VAL . 40.6 t -68.1 -57.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 6.8 mp -49.67 -53.09 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 mmmp? -61.73 -41.33 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 131.48 -26.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLY . 5.5 mm-40 -36.21 -50.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.494 HG21 ' CH2' ' A' ' 111' ' ' TRP . 21.9 t -106.75 126.86 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 147.05 64.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.95 35.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -95.03 -24.81 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ARG . 22.7 t60 -88.35 -37.61 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.3 tp -41.07 -27.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.65 -42.5 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' HIS . 51.0 mtp180 -69.82 -24.26 63.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.1 mtp -58.98 138.38 57.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.63 150.8 95.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -12.23 32.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.361 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -101.79 -30.08 11.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' SER . 34.1 mm-40 -73.12 -40.35 65.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 mt -44.4 -26.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.77 -32.2 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 3.6 t -55.23 111.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -77.52 67.8 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -107.87 130.61 54.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -109.66 -56.73 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 108' ' ' LEU . . . -34.81 -41.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -36.69 -59.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CH2' HG21 ' A' ' 90' ' ' VAL . 20.9 m95 -46.44 148.43 0.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -119.05 -49.42 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.26 111.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 115' ' ' SER . 16.2 tpt180 -82.61 88.53 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' ARG . 2.7 m -35.86 -50.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.77 161.23 5.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 90.73 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 t -89.9 143.75 26.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.0 t -51.96 -61.78 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -48.91 147.74 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -172.67 170.89 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.01 -110.16 3.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -43.9 -42.91 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -118.57 127.24 53.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.81 148.53 17.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -65.9 94.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.65 -50.41 3.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.46 -28.27 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.74 -37.44 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.11 -70.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -43.86 -38.97 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -49.71 -38.66 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.6 t -50.66 -43.22 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -53.51 -62.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -47.87 -54.13 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.2 m -46.57 -67.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -43.08 -60.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' ASP . 29.9 ttpt -45.79 -58.0 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.6 t70 -34.36 -59.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mt -50.77 -64.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 86' ' ' LEU . 33.0 mt -48.72 -32.44 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 62.6 mmm -72.86 -38.36 67.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -20.06 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -90.92 -18.97 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -95.67 -37.31 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 30' ' ' ASP . 6.4 t -70.56 -23.97 62.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' N ' HG21 ' A' ' 29' ' ' THR . 17.6 t70 -94.81 -44.59 7.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -68.72 -179.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.94 41.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.42 139.13 40.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -122.48 27.66 7.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.34 149.57 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.51 67.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -50.27 -29.8 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.41 -39.56 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -64.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.75 -59.22 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.95 -32.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -74.61 -41.13 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.63 -65.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.14 -51.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.7 m -51.54 -41.13 60.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -70.2 -23.06 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 HD12 ' CB ' ' A' ' 92' ' ' PRO . 34.0 mm -69.36 -51.61 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -38.65 -32.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -46.55 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.6 tp -64.06 -61.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -48.7 -24.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.6 t -82.65 -59.48 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -52.21 -37.43 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 39.4 m-85 -89.56 -21.07 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.1 ptp180 42.68 30.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -174.86 151.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 45.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 35.2 t0 -83.53 168.15 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -36.68 -52.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' TYR . 29.5 mtmt -46.3 -65.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' A' ' 51' ' ' LEU . 18.9 t80 -35.96 -44.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.86 -57.11 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -37.56 -42.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -72.62 -49.08 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.94 -60.27 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 39.4 ptt85 -49.82 -42.02 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 t -64.54 -47.69 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -38.88 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -88.27 -13.75 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 35.6 t80 -66.8 -47.65 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -69.56 -34.73 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.9 -44.4 78.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.81 -35.9 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -39.4 134.92 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -37.24 9.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.622 2.215 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -63.61 -41.15 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.88 98.5 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -121.22 30.35 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.04 -43.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 10.6 tp -45.86 -69.3 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.0 p90 -40.78 -45.69 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 34.0 ttmt -60.38 -60.19 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 46.0 mtmt -48.54 -33.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.94 -62.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 24' ' ' LEU . 10.0 mp -51.95 -51.48 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -57.65 -37.98 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 129.23 -28.58 4.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' GLY . 17.4 mt-10 -34.78 -47.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -111.62 141.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.64 144.2 27.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.458 ' CB ' HD12 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -4.79 14.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -106.42 -16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -94.84 -29.93 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.9 tp -46.64 -27.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 mt -76.79 -43.01 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -66.34 -22.6 66.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mmm -58.85 171.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -106.35 156.24 37.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.715 0.769 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.21 25.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -106.9 -24.03 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.1 -37.6 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.3 mt -49.1 -28.68 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.42 -35.61 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 t -41.41 108.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -88.04 69.34 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.78 105.09 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.76 -23.26 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.82 32.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.5 -41.6 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.445 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 25.4 m95 -55.42 145.96 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -52.37 171.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.87 46.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -63.21 -47.66 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -134.27 172.82 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.29 144.13 21.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.75 33.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.1 p -174.11 106.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 p -77.11 156.38 31.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.15 142.53 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -98.3 106.74 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.24 -140.6 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m 61.16 41.62 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -115.35 143.53 45.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.61 -170.07 10.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t 72.76 35.63 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.02 -43.58 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -43.73 81.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -54.53 -52.42 62.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -48.05 -57.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -59.82 -54.06 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -46.2 -48.61 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -54.72 -47.41 73.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -44.6 -46.2 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' NE ' ' OG1' ' A' ' 45' ' ' THR . 41.7 mtp180 -46.44 -58.16 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' SER . 6.9 t-160 -54.12 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.438 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 3.8 m -36.38 -54.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.17 -63.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.3 ttpt -44.37 -35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.94 -54.6 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' CD1' ' HE1' ' A' ' 70' ' ' MET . 55.3 mt -59.22 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 86' ' ' LEU . 29.1 mt -48.1 -35.41 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.4 mmt -58.2 -34.75 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 -28.9 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.15 -20.63 57.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -94.2 -36.96 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.1 t -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -37.11 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -77.81 170.72 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.21 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 mt -94.77 -65.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? 70.7 42.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.38 152.24 42.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.27 42.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 13.9 tt0 -42.37 -32.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.73 -43.5 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.11 -69.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.83 -60.16 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -41.05 -53.97 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -54.91 -58.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.17 -47.91 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.432 ' OG1' ' NE ' ' A' ' 17' ' ' ARG . 15.8 m -58.89 -24.6 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -90.98 -11.14 39.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.443 HD12 ' CB ' ' A' ' 92' ' ' PRO . 48.7 mm -73.26 -43.85 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.4 -52.39 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' GLU . 22.8 pttt -37.41 -38.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 96' ' ' ILE . 7.8 tp10 -89.96 -30.19 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -64.62 -61.15 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -53.46 -36.11 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 t -75.74 -36.07 60.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.94 -56.72 14.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -78.03 -38.67 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 73.55 29.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.84 146.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.7 p -100.8 57.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.3 m-20 -105.76 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.4 -66.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' ASN . 32.8 mtmt -37.86 -62.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 51' ' ' LEU . 82.5 t80 -36.52 -52.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -29.73 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' LYS . 34.0 t-20 -63.74 -28.35 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -83.31 -39.74 20.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -62.9 -61.18 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -50.38 -28.62 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 t -77.56 -51.45 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.42 -38.5 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.546 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 5.0 ptm -84.48 -37.92 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -45.39 -34.68 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -87.0 -26.02 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.3 mt -68.51 -50.92 48.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -76.72 -17.23 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -50.68 128.96 26.95 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -26.78 27.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -78.02 -31.57 50.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 115.15 28.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.63 48.63 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG21 ' CE ' ' A' ' 84' ' ' LYS . 19.8 mm -131.04 -57.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . 12.1 tp -43.61 -63.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 1.2 p90 -41.95 -26.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -93.1 -33.75 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.528 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 36.5 mtmt -68.66 -39.04 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.47 -38.49 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 24' ' ' LEU . 10.2 mp -71.64 -54.0 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -57.6 -44.1 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 137.62 -27.38 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.7 mm-40 -34.55 -48.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.81 146.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -93.57 155.05 41.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' CB ' HD12 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.77 -23.35 30.84 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.9 -42.19 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ARG . 19.7 t60 -74.64 -35.29 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.4 tp -44.79 -23.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 50' ' ' GLU . 10.9 mt -84.55 -34.0 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' HIS . 13.1 ptm180 -103.9 34.74 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.1 mtp -97.21 140.37 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -46.96 144.47 3.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -103.13 -13.48 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.26 -32.15 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.7 mt -51.57 -38.96 56.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -90.69 -39.6 12.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' ALA . 23.1 t -36.26 143.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -123.75 43.59 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -96.66 118.76 33.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -109.67 5.2 22.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.45 -16.45 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -45.26 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.528 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 32.7 m95 -45.21 130.61 7.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -69.62 -177.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.03 -177.18 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.78 167.83 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 m -96.01 166.52 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.88 145.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 122.64 9.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.5 t -51.37 109.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -66.0 157.35 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 69.21 40.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -110.74 116.58 31.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 -134.97 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -38.67 127.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -59.14 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.59 -156.27 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -145.83 145.97 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.11 -63.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.03 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -43.54 -48.62 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.98 -54.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -57.72 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.65 -45.67 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -56.47 -42.71 78.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG1' ' CD ' ' A' ' 48' ' ' GLU . 77.1 t -51.68 -53.84 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 31.9 mtm-85 -42.97 -61.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -52.22 -61.3 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -43.45 -62.39 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.6 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ASP . 21.7 ttpt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.5 t0 -35.07 -58.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mt -48.77 -56.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' A' ' 86' ' ' LEU . 52.4 mt -58.94 -32.43 69.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 12.4 mtp -74.92 -25.75 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -32.19 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.21 -24.03 43.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 25' ' ' MET . 1.0 OUTLIER -86.75 -40.51 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -63.88 -19.94 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.37 -53.98 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -66.55 -179.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -91.51 47.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.43 126.55 38.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -99.9 9.43 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -56.65 151.12 32.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.89 36.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 19.6 tt0 -61.65 -47.83 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pm0 -51.9 -38.58 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' O ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.06 -58.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -68.51 -65.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -39.31 -49.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.437 HG12 ' CG1' ' A' ' 85' ' ' VAL . 50.2 t -54.62 -58.39 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.63 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.1 m -70.34 -25.54 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 92' ' ' PRO . 20.1 mmtt -80.44 -38.22 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 92' ' ' PRO . 4.8 mm -48.24 -55.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' CG1' ' A' ' 16' ' ' VAL . 1.4 mp0 -65.09 -58.38 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLU . 37.3 tttp -34.6 -37.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' GLU . 6.7 tp10 -91.5 -44.61 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 HD22 ' CZ ' ' A' ' 62' ' ' TYR . 8.4 tp -54.74 -59.11 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.67 -34.22 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -77.92 -18.75 55.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -93.57 -32.52 14.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.6 -15.01 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 43.83 29.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -172.6 155.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.3 p -110.89 46.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.39 -174.93 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.24 -45.17 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -33.77 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.493 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 71.7 t80 -68.41 -61.87 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -48.01 76.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -80.12 -48.04 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.13 -50.52 64.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.96 -35.02 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 12.8 t -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.88 -43.75 82.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 ptm -81.44 -14.03 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.0 -35.18 69.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.91 -11.32 59.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.26 -42.15 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -19.67 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.21 130.51 91.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.99 25.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -5.17 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -130.32 77.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -103.03 51.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 HG21 ' CD ' ' A' ' 84' ' ' LYS . 3.0 mm -134.98 -51.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' LYS . 10.3 tp -47.02 -61.05 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -38.53 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LEU . 36.5 ttmt -92.55 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.557 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 54.2 mtmt -34.23 -42.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' CG1' HG12 ' A' ' 43' ' ' VAL . 20.1 t -67.29 -60.47 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 24' ' ' LEU . 8.4 mp -51.55 -52.63 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.72 -43.58 80.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 136.5 -29.72 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 6.0 mm-40 -35.43 -46.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.2 t -117.58 150.35 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.08 159.75 28.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.464 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.6 Cg_endo -69.76 -21.93 32.82 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -82.95 -57.66 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.58 -29.19 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -47.73 -20.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.07 -47.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -62.03 -19.04 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -61.33 161.58 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 156.42 58.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -5.55 16.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.84 -24.63 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.71 -29.9 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.57 1.52 46.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 m -81.61 109.21 15.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -85.57 71.12 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -127.01 112.32 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.5 mt -106.72 37.75 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.63 -25.51 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.6 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.557 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 17.5 m95 -47.01 120.24 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' TRP . 6.4 tpt180 -34.88 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -73.18 83.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -66.74 -57.96 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -90.69 117.78 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.15 -179.12 29.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.32 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -128.96 157.8 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 p -101.15 165.55 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 p -58.37 116.19 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -43.96 107.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.88 179.03 47.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.0 p -94.49 166.67 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 48.7 m 36.91 41.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.7 -86.4 1.89 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -122.61 41.17 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -62.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.82 -46.82 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -53.42 -45.28 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.3 -54.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 52' ' ' PHE . 74.6 mtm180 -57.11 -55.35 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 14' ' ' GLN . 7.4 tm0? -39.95 -50.3 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -55.28 -47.99 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG11 ' CE1' ' A' ' 66' ' ' TYR . 58.8 t -48.92 -45.02 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -53.81 -66.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -44.8 -59.74 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -41.52 -49.97 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.8 -57.01 14.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.6 ttpt -54.31 -28.81 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.71 -44.95 92.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CD1' ' HE1' ' A' ' 70' ' ' MET . 60.0 mt -72.03 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 86' ' ' LEU . 57.1 mt -51.76 -17.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 2.8 mmt -78.9 -55.71 4.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -21.71 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.95 -39.69 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -78.59 -41.32 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 t -58.72 -32.07 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.16 -53.61 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -60.23 -178.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.34 49.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -106.85 122.53 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -100.86 30.36 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.36 147.19 95.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.15 46.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -42.94 -37.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.88 -46.2 82.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.0 -62.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.31 -50.04 63.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB1' ' CD ' ' A' ' 21' ' ' LYS . . . -57.99 -69.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -37.47 -48.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.89 -58.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.89 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -60.01 -30.37 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.9 mttt -85.82 -39.27 17.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 92' ' ' PRO . 47.1 mm -36.59 -55.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' CG ' HG13 ' A' ' 16' ' ' VAL . 28.1 mm-40 -76.53 -34.41 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -49.92 -40.99 45.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -85.32 -43.45 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 62' ' ' TYR . 5.8 tp -55.72 -60.93 2.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 20.4 t80 -42.15 -43.35 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -71.41 -64.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -39.39 -52.94 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.54 -48.49 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 74.7 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -171.54 159.3 5.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -119.66 47.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.4 m-20 -97.1 177.61 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.27 -65.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' TYR . 20.7 mtmm -37.4 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 51' ' ' LEU . 55.8 t80 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.64 -49.31 71.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -41.62 -48.02 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -64.08 -50.24 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.483 ' CE1' HG11 ' A' ' 16' ' ' VAL . 2.0 t80 -56.09 -65.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 68' ' ' SER . 9.3 ptm180 -47.64 -37.37 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 16.9 m -69.12 -40.93 78.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.59 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 26.4 ptm -72.94 -30.18 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.04 -39.03 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -80.52 -25.62 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' MET . 87.6 mt -71.45 -43.8 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -73.45 -20.27 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.61 127.83 88.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.723 . . . . 0.0 110.896 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -33.36 16.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -54.66 -32.08 58.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -110.36 79.82 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.3 p30 -98.91 47.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.4 mt -128.14 -46.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 10.2 tp -47.21 -67.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -40.11 -34.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -76.75 -46.0 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 56.6 mtmt -59.15 -36.92 76.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.75 -58.62 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 24' ' ' LEU . 11.0 mp -56.15 -45.78 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -63.24 -44.87 94.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.68 -27.52 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -39.49 -34.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.2 t -124.23 147.65 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 152.25 38.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.709 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.431 ' CB ' HD11 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.79 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 2.8 p30 -95.77 -37.06 10.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' ILE . 30.8 t60 -80.81 -33.75 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -41.76 -25.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' HIS . 8.2 mt -72.74 -70.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -39.72 -33.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.9 mtp -55.74 125.88 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -71.88 160.08 83.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.676 0.75 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.56 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -95.81 -25.78 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.58 -43.97 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.9 mt -40.95 -44.17 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -79.49 -39.5 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' ALA . 16.0 p -35.08 130.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' GLU . 14.1 tttp -83.57 -38.12 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 106' ' ' LYS . 20.3 mt-10 -34.51 106.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' ALA . 5.2 tt -92.59 -51.78 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' LEU . . . -34.68 -38.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -35.87 -46.65 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -46.53 150.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -60.8 96.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -57.18 111.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -142.99 -177.72 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.7 143.34 3.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.428 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.68 54.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.4 t -69.51 -59.34 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -44.77 -55.52 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -89.6 115.7 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.81 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -123.24 120.78 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.97 124.38 36.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -100.45 160.7 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -79.14 95.39 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.7 127.77 7.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -161.25 166.34 27.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -58.46 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -53.28 -55.13 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.5 -64.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 13' ' ' ARG . 13.1 mtp-105 -50.02 -46.82 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -55.48 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 t -48.86 -41.54 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG11 ' CD1' ' A' ' 66' ' ' TYR . 97.0 t -53.29 -48.19 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -56.25 -71.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -46.33 -59.37 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.426 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 20.9 m -37.92 -59.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.33 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.1 ttpt -47.11 -28.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.52 -52.24 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 55.4 mt -64.22 -54.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.0 -17.18 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.6 mmt -81.57 -33.31 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -93.72 -19.29 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 78' ' ' ASN . 19.3 mmm180 -86.34 -20.98 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.62 -33.18 15.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 t -69.44 -33.37 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.78 -38.51 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 m -80.76 168.68 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -79.38 49.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -102.77 128.93 49.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -108.41 29.35 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -72.5 147.15 89.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.39 57.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -47.17 -34.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -44.34 91.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -68.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.21 -56.04 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -50.53 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' ALA . 29.4 mtpt -36.04 -51.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -53.82 -55.58 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.55 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -49.99 -30.02 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -77.91 -44.85 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.408 HD12 ' CB ' ' A' ' 92' ' ' PRO . 17.8 mm -41.8 -56.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' LYS . 11.5 mp0 -69.75 -53.43 18.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 35.3 tttt -35.26 -39.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -89.68 -37.49 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 62' ' ' TYR . 5.8 tp -62.2 -58.82 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -50.86 -40.45 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 t -72.36 -39.27 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.91 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -75.34 -33.21 61.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 9.4 ttm105 66.58 29.35 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 7.6 m-20 -174.74 164.04 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.1 p -113.27 48.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.25 -177.44 6.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.65 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -76.21 -65.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CE2' HD21 ' A' ' 51' ' ' LEU . 5.4 t80 -41.93 -44.05 3.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -70.63 -45.45 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -52.99 -36.33 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -70.84 -51.11 28.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.426 ' OH ' ' CB ' ' A' ' 19' ' ' SER . 1.5 t80 -52.75 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -51.59 -29.4 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -80.88 -25.79 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.37 -35.9 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.46 ' CE ' HD12 ' A' ' 23' ' ' ILE . 2.2 ppp? -89.38 -19.97 24.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -58.43 -32.08 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -78.85 -53.09 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -42.07 -55.6 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 21.5 ptmt -58.51 -38.61 78.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -39.09 125.94 1.27 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.559 0.695 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -22.22 32.58 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -77.43 -32.96 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 2.6 m120 -94.09 89.35 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 26.3 p30 -106.7 36.24 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 ' CE ' ' A' ' 84' ' ' LYS . 9.7 mt -128.51 -54.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -39.39 -63.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.534 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 2.6 p90 -39.4 -46.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 7.4 tttt -69.86 -68.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 83' ' ' LYS . 31.4 mtmt -34.33 -38.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.26 -51.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 86' ' ' LEU . 9.8 mp -61.37 -51.53 68.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -58.37 -40.3 81.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.45 -24.63 3.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.48 -40.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 t -122.28 126.93 74.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 p -81.42 152.39 70.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' CB ' HD12 ' A' ' 47' ' ' ILE . 53.8 Cg_endo -69.79 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -20.9 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.01 -34.68 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.1 tp -42.72 -27.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt -79.46 -50.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -56.21 -26.54 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.1 mmm -57.53 146.79 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 p -81.44 155.9 71.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.43 3.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.34 -37.2 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -73.97 -34.95 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.09 -30.88 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.19 -26.47 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.2 t -39.48 135.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -129.65 38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 107' ' ' GLU . 2.4 pm0 -122.89 164.55 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.28 -56.26 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.8 -20.35 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.57 55.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -59.35 154.03 17.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -93.68 121.71 35.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.3 mmm-85 -58.99 166.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 60.66 43.6 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 m -156.2 115.57 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.67 83.63 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.82 49.02 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.8 p -96.77 -46.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 92.9 p -102.87 86.16 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.458 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -173.82 141.15 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -64.38 120.79 12.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.67 154.71 6.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -127.64 148.32 50.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -115.25 142.34 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.23 -58.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -76.1 91.71 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.812 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.27 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.84 -53.44 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.72 -45.16 82.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -55.89 -64.68 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 21.4 mtm105 -48.01 -45.55 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.08 -53.85 52.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -49.43 -44.77 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.421 HG12 ' CD ' ' A' ' 48' ' ' GLU . 98.3 t -47.34 -44.55 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -55.23 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.5 -52.58 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -49.79 -58.02 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.3 -55.68 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -53.97 -40.22 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.04 -52.47 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 59.3 mt -62.35 -57.41 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.02 -21.65 12.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mmt -76.41 -39.58 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -22.78 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' NH2' ' HA ' ' A' ' 79' ' ' ASN . 24.2 mmm180 -83.23 -22.99 32.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.16 -36.9 13.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.418 ' N ' HD11 ' A' ' 28' ' ' LEU . 10.4 t -69.14 -31.45 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -78.45 -57.08 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -53.76 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -89.32 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -105.4 157.1 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 12.8 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.99 147.56 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.85 32.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 -22.88 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.32 -25.48 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -68.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.08 -58.94 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.74 -51.08 53.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -53.55 -44.64 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.65 -58.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.01 -47.0 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -58.96 -21.17 57.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -91.7 -15.94 27.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.93 -53.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -63.87 -57.4 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' GLU . 15.2 tp10 -96.34 -41.18 8.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.3 tp -64.3 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.46 -24.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -84.61 -50.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -56.73 -29.39 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.68 -33.1 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 24.3 mtt-85 56.05 31.91 18.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 13.4 m-20 -171.92 154.91 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.6 p -101.62 29.77 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.36 169.66 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.32 -38.6 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -60.16 -31.66 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -72.54 -57.4 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.98 -42.69 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.83 -48.03 41.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.29 -44.09 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -57.11 -55.98 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -63.37 -23.99 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -79.42 -39.22 32.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -49.0 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.6 ptm -70.16 -27.28 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -49.38 -45.21 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -72.9 -22.7 60.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.66 -53.96 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 31.1 pttt -69.29 -3.84 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.28 121.87 84.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.45 37.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -83.59 -43.72 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 52.5 t-20 -87.26 87.29 7.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -101.63 42.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 mt -129.67 -57.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 9.7 tp -34.9 -69.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.2 p90 -42.23 -51.84 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 30.7 ttmt -55.37 -58.04 9.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 42.6 mtmt -49.85 -35.16 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.9 t -70.3 -66.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 mp -49.22 -45.82 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.11 -43.45 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.02 3.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -39.36 -55.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.4 t -98.73 145.8 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.15 149.33 35.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.535 0.684 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.54 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.63 -24.39 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 96' ' ' ILE . 56.0 t60 -86.96 -36.82 18.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -42.7 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 94' ' ' HIS . 17.5 mt -79.9 -56.3 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 14.5 mtp-105 -57.97 -24.95 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -53.52 152.8 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.0 m -78.79 150.0 74.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -22.93 31.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -84.14 -25.13 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' SER . 83.0 mt-10 -78.25 -45.19 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.422 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 33.2 mt -39.53 -30.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.61 -36.83 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 102' ' ' GLU . 20.5 p -47.22 145.29 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -113.96 44.97 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.51 129.55 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.6 tp -100.31 -52.49 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.25 -22.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.91 -58.05 4.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -55.42 163.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -138.53 157.76 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -95.59 129.73 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -104.36 105.17 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.9 t -38.84 -45.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 87.32 -159.29 30.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 122.55 9.21 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.3 p -83.72 125.08 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.3 m -111.36 161.24 16.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.41 88.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -125.86 142.96 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.31 104.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 p -155.26 160.62 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 p -52.89 148.78 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.44 -89.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -90.05 98.19 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 110.811 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.72 -53.73 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.19 -46.12 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.41 -47.73 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.08 -61.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -49.65 -48.54 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -54.48 21.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -52.64 -47.57 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 ' CD ' ' A' ' 48' ' ' GLU . 91.2 t -47.57 -50.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -57.46 -66.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -43.23 -54.38 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 m -47.9 -57.91 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.2 mt -49.16 -47.55 45.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.7 ttpt -62.35 -31.86 72.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.54 -54.83 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -58.19 -60.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.05 -28.45 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.442 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.5 mmt -68.05 -32.36 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -92.59 -31.58 15.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.8 mmm180 -72.0 -33.5 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -80.66 -39.29 27.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.461 ' N ' HD13 ' A' ' 28' ' ' LEU . 1.4 t -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 29' ' ' THR . 12.3 t70 -83.5 -46.28 12.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -72.94 -179.37 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -95.17 48.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -88.45 -47.7 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp 55.07 28.52 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.2 m -80.61 149.07 67.33 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.32 47.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.23 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -40.63 -44.05 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.87 -58.07 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -67.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.65 -58.51 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -48.44 -67.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' ALA . 6.6 mtpm? -34.31 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.6 -59.11 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.77 -56.92 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -50.86 -31.91 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.2 mmtp -76.46 -45.59 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.0 mm -37.49 -61.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' CD ' HG12 ' A' ' 16' ' ' VAL . 1.6 mp0 -63.32 -52.22 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 39.7 tttm -36.22 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -94.97 -39.04 10.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -60.59 -58.89 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ARG . 26.5 t80 -47.43 -43.74 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -67.89 -55.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.796 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -41.37 -38.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.83 -13.36 16.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 25.2 mtt180 45.94 32.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -174.82 167.68 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 45.0 p -119.71 60.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -100.7 178.91 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.92 -54.17 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' ASN . 19.6 mtmm -50.4 -65.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD2' ' HA ' ' A' ' 58' ' ' THR . 29.1 t80 -40.32 -49.2 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -67.08 -36.08 81.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' LYS . 21.5 t-20 -60.95 -37.05 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -71.47 -45.52 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 1.6 t80 -58.02 -60.52 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -25.3 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -78.69 -53.29 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.07 -42.1 49.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 13.5 ptm -82.61 -18.17 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -52.42 -45.32 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.04 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 82' ' ' PHE . 73.4 mt -84.78 -46.06 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -78.09 -3.51 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.81 121.88 84.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.99 8.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -17.53 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -118.05 88.14 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.65 57.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.0 mt -132.06 -58.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LYS . 11.7 tp -42.65 -68.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.579 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -38.54 -33.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -80.67 -44.03 19.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.469 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 50.1 mtmt -61.74 -34.56 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.66 -48.46 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 86' ' ' LEU . 10.1 mp -64.99 -50.85 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.07 -43.87 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.35 -22.99 3.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG23 ' CH2' ' A' ' 111' ' ' TRP . 30.6 t -117.13 124.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 150.79 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -16.4 37.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.11 -15.84 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -101.12 -31.56 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.45 -28.93 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -71.65 -53.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -52.72 -24.57 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 40.5 mtp -59.27 154.39 16.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.407 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 1.8 m -91.16 160.4 37.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.92 -45.99 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' CD ' ' HB2' ' A' ' 99' ' ' SER . 1.7 mp0 -57.36 -46.31 83.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.6 mt -42.93 -27.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.93 -38.15 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -50.47 146.08 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 59.93 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.0 61.2 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.6 -56.6 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.13 -31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -44.3 -52.8 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.522 ' CH2' HG23 ' A' ' 90' ' ' VAL . 14.6 m95 -49.02 155.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -104.95 167.49 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.6 mmm-85 -121.87 44.52 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -57.35 105.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -67.96 136.37 53.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.06 -95.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.6 Cg_endo -69.8 -19.76 35.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' PRO . 15.6 p -34.55 118.83 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.7 t -43.06 -44.67 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.519 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -87.81 -54.89 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -151.46 155.15 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 89.22 2.0 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -79.01 83.53 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -90.45 108.55 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.41 -151.29 22.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -96.88 127.48 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.36 44.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.53 -25.11 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.76 -51.79 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -52.22 -49.41 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -66.0 -54.16 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -48.69 -52.6 22.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.28 -47.74 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 66' ' ' TYR . 93.0 t -45.78 -54.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' CZ ' HG21 ' A' ' 45' ' ' THR . 53.8 mtt180 -43.39 -62.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.23 -58.37 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.48 -64.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.2 -47.3 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 25' ' ' MET . 31.4 ttpt -65.56 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.36 -48.7 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.37 -63.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.7 mt -50.23 -23.69 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -70.05 -38.74 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.01 -27.04 25.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -25.09 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.78 -32.86 14.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.5 t -78.76 -16.39 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -93.05 -42.38 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.3 p -74.63 179.33 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -82.92 41.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.7 mt -102.01 126.96 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -108.74 33.97 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m -77.36 147.45 75.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.28 50.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 2.3 tm-20 -42.21 -44.23 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -44.06 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -69.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.45 -56.66 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -67.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 54.5 mttt -38.44 -54.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG12 ' CG1' ' A' ' 85' ' ' VAL . 55.6 t -51.6 -55.44 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.53 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.441 HG21 ' CZ ' ' A' ' 17' ' ' ARG . 10.4 m -46.78 -30.52 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 3.7 mptt -78.34 -50.6 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 HD13 ' CB ' ' A' ' 92' ' ' PRO . 22.8 mm -36.68 -55.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' LYS . 1.4 mp0 -66.35 -54.94 18.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' GLU . 33.9 tttp -36.08 -43.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.1 -54.27 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 2.9 tp -44.01 -61.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -43.72 -46.73 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -64.82 -59.43 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -39.5 -69.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.38 -42.41 87.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 68.76 30.62 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -168.49 150.25 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 p -104.74 58.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -108.72 -178.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.77 -58.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.5 mtmp? -42.39 -64.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 66.1 t80 -34.46 -57.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ASN . 62.8 mttt -61.61 -53.3 58.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 5.2 t-20 -36.31 -44.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -69.86 -59.92 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.53 ' CD1' HG13 ' A' ' 16' ' ' VAL . 3.3 t80 -42.58 -55.36 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 68' ' ' SER . 11.1 ptm180 -56.2 -35.2 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.6 t -68.93 -48.15 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.2 mt -49.8 -53.9 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.407 ' SD ' ' CZ ' ' A' ' 66' ' ' TYR . 3.8 ptm -71.28 -30.46 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -39.09 -51.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.7 -44.65 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.6 mt -49.95 -46.25 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ASP . 9.3 ptmm? -75.53 -38.35 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.6 t0 -35.0 116.42 0.54 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.624 0.726 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.88 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -95.55 -29.35 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -104.26 107.9 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -122.21 49.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -127.02 -44.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 tp -49.67 -69.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -39.12 -39.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -69.68 -52.02 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.71 -38.4 72.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' A' ' 43' ' ' VAL . 80.2 t -69.7 -58.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.72 -53.31 56.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -56.24 -46.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 135.72 -26.19 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' GLY . 9.5 mm-40 -37.07 -46.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 91' ' ' THR . 39.2 t -108.94 137.11 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.405 ' N ' HG11 ' A' ' 90' ' ' VAL . 33.6 p -89.89 147.29 37.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' CB ' HD13 ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.8 -5.61 16.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.19 -31.29 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -84.72 -30.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.2 tp -45.55 -35.09 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.1 mt -73.03 -48.62 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -55.4 -29.68 58.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.07 172.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -105.69 152.52 40.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.89 27.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -98.19 -27.01 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.07 -36.88 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt -46.74 -38.78 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -82.49 -28.47 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' ALA . 8.3 t -36.8 138.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.73 26.16 4.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -92.87 127.35 38.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.88 -55.42 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' ALA . . . -39.94 -36.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -35.41 -50.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -44.79 144.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -84.26 171.51 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -108.27 151.54 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.33 97.72 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.2 p -71.26 109.5 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 160.93 -158.1 29.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.3 p -99.45 -175.36 2.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.4 m -154.71 168.8 25.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 p -68.99 82.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -168.04 143.72 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.79 96.11 1.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -91.7 78.89 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -93.39 115.16 27.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 -83.05 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ALA . 22.9 t -174.93 149.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -37.19 -64.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -43.02 -49.56 6.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.99 -41.65 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.49 -56.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -51.6 -52.95 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -49.6 -51.28 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -51.69 -48.5 63.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 66' ' ' TYR . 90.5 t -44.64 -49.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.68 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -40.83 -56.89 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -44.2 -57.35 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.8 mt -50.61 -61.41 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -52.65 -33.33 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.76 -47.17 86.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -69.14 -50.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 86' ' ' LEU . 14.9 mt -64.52 -18.36 64.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 7.0 mmt -77.07 -44.73 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.32 -21.96 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -78.79 -26.1 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 29' ' ' THR . 1.8 pp -89.64 -42.24 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 14.4 t -60.63 -35.42 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.33 -43.51 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -79.6 175.79 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -84.1 61.4 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.4 108.6 17.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -85.79 21.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.0 149.97 90.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.96 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -66.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.85 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.89 -67.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -39.64 -56.8 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.7 t -50.02 -54.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -53.09 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -47.85 -32.26 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 1.3 mptp? -77.38 -52.13 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 HD12 ' CB ' ' A' ' 92' ' ' PRO . 9.9 mm -36.78 -56.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.08 -32.26 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 22.3 tttp -60.76 -38.51 85.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.94 -42.35 12.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tp -52.94 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -54.75 -45.28 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 m -64.56 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.76 -55.32 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 71.5 m-85 -76.65 -18.9 58.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.7 mtt180 52.84 28.54 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.2 m-20 -175.02 171.4 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 63.5 p -110.74 27.94 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.81 -175.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.24 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -66.56 -29.61 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' ' 58' ' ' THR . 24.9 t80 -72.02 -49.01 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -70.62 -45.75 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -45.97 -39.0 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -73.52 -42.68 61.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CD1' HG12 ' A' ' 16' ' ' VAL . 2.3 t80 -59.71 -51.56 69.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 6.2 ppt_? -66.08 -10.48 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -92.66 -53.93 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -48.45 -36.73 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.415 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 17.9 ptm -88.99 -18.48 27.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.33 -32.13 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.78 -29.71 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 70' ' ' MET . 51.2 mt -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -87.77 -3.69 58.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -81.07 126.65 76.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.816 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.36 37.36 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.55 -40.47 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 12.2 t-20 -107.49 84.98 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -96.94 44.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 81' ' ' LEU . 2.9 mt -127.27 -55.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' LYS . 8.7 tp -32.17 -69.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.1 p90 -36.89 -40.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ILE . 32.4 tttm -77.79 -38.65 46.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 81' ' ' LEU . 14.6 mtpp -60.55 -36.92 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.1 t -76.08 -47.38 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 24' ' ' LEU . 6.8 mp -61.89 -48.88 78.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -62.64 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.3 -6.84 5.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CD1' ' A' ' 111' ' ' TRP . 5.2 mm-40 -54.75 -55.69 27.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.54 HG21 ' CH2' ' A' ' 111' ' ' TRP . 63.3 t -100.6 122.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.36 146.04 88.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.433 ' CB ' HD12 ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.71 -7.02 19.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -106.19 -18.99 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -92.91 -35.09 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -44.48 -24.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.68 -38.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -75.34 -15.66 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 37.8 mmm -68.53 149.03 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 p -84.37 158.71 60.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.672 0.749 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.33 20.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -101.16 -20.34 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -90.75 -28.21 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.5 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 41.3 mt -57.11 -22.73 41.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . . . -87.97 -31.88 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -48.52 129.41 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.18 49.07 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -28.2 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.42 HD13 ' NZ ' ' A' ' 84' ' ' LYS . 6.8 mp 48.39 28.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.53 -10.94 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.46 -42.45 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.589 ' CD1' ' OE2' ' A' ' 89' ' ' GLU . 44.3 m95 -48.01 124.62 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -51.02 165.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -93.46 136.19 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLY . 3.8 mmp_? -117.57 135.07 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p -52.66 88.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 114' ' ' ARG . . . -106.61 84.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 140.88 43.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.385 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.7 t -104.11 134.13 47.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.9 t -154.4 170.85 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.48 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p 43.94 41.93 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -119.48 111.8 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.88 122.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -102.33 -45.05 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -71.64 115.64 11.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.72 104.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -104.35 163.62 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.59 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.14 -35.78 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.2 -39.01 93.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.67 -69.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' NH1' ' CE2' ' A' ' 52' ' ' PHE . 8.7 ptt180 -47.38 -37.43 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.3 -42.28 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 t -65.99 -40.55 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG13 ' CE1' ' A' ' 66' ' ' TYR . 97.4 t -46.22 -44.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -47.38 -65.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.32 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -40.04 -57.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.05 -54.31 31.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -50.87 -38.71 51.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.27 -50.2 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD12 ' CE ' ' A' ' 70' ' ' MET . 47.1 mt -66.71 -54.25 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.29 -12.79 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.21 -43.67 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.29 -22.78 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 13.9 mmm180 -80.27 -28.17 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -86.77 -37.06 18.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.414 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -72.44 -22.91 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -92.15 -43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -67.04 -178.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -85.61 31.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -94.04 147.29 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -125.94 13.19 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.29 147.78 86.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.595 0.712 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.21 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.97 -36.17 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -50.87 -54.64 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.68 -53.41 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.79 -56.71 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.38 -65.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 32.6 mttm -35.47 -59.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' CG1' ' CG1' ' A' ' 85' ' ' VAL . 90.4 t -52.84 -52.43 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.82 66.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -63.9 -30.61 71.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -73.98 -41.48 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.7 mm -40.83 -61.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -63.4 -45.68 89.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -44.31 -38.45 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.52 -43.22 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.38 -61.95 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' NH1' ' A' ' 13' ' ' ARG . 71.5 t80 -52.09 -26.34 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -82.16 -28.4 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 6.0 t80 -80.87 -50.8 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.82 -17.0 56.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 49.39 31.5 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -173.94 158.0 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 p -116.15 39.98 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -89.18 -175.21 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.84 -63.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' TYR . 16.7 mttm -40.31 -63.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' LYS . 71.4 t80 -36.72 -58.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASN . 50.4 mttt -59.22 -51.49 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LYS . 50.1 t30 -35.74 -43.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.22 -52.92 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.41 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -52.03 -59.22 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 3.9 ptm85 -50.26 -27.06 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -81.45 -28.39 34.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.36 -39.29 28.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.453 ' SD ' ' CE ' ' A' ' 74' ' ' LYS . 3.1 ppp? -86.39 -17.48 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 2.7 t80 -65.31 -43.43 91.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -75.11 -26.67 59.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.84 -43.96 90.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' CE ' ' SD ' ' A' ' 70' ' ' MET . 12.3 ptpt -79.81 -27.53 40.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 m-20 -52.82 131.9 47.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.08 21.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.24 -23.64 66.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -112.68 90.95 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 41.58 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.432 ' CG2' ' HE2' ' A' ' 84' ' ' LYS . 3.0 mm -125.21 -60.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 tp -41.26 -62.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 27' ' ' ARG . 2.5 p90 -40.44 -32.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' LYS . 28.5 ttmt -86.25 -64.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' CB ' HG21 ' A' ' 90' ' ' VAL . 28.5 mmtt -34.37 -38.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.467 ' CG1' ' CG1' ' A' ' 43' ' ' VAL . 76.8 t -67.37 -51.19 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' LYS . 9.1 mp -65.74 -51.18 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -56.58 -42.8 79.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.88 10.91 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LYS . 68.4 mm-40 -80.11 -45.25 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.54 HG23 ' CZ2' ' A' ' 111' ' ' TRP . 21.4 t -104.91 121.47 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.29 155.12 82.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -39.58 6.22 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.58 -29.91 69.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 97' ' ' ARG . 14.9 t60 -81.44 -40.47 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tt -39.77 -26.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 94' ' ' HIS . 10.0 mt -83.64 -41.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' HIS . 76.0 mtp180 -66.66 -26.54 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.1 mtp -55.36 158.2 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -87.3 156.61 54.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -109.66 -27.36 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' SER . 15.3 mm-40 -78.83 -36.61 42.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.44 -29.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.69 -28.24 20.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 23.2 t -40.9 141.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -114.59 51.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -122.09 145.33 48.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.51 -21.84 12.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -11.34 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.22 68.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.54 ' CZ2' HG23 ' A' ' 90' ' ' VAL . 13.0 m95 -55.1 135.45 49.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -58.57 125.63 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -96.53 128.27 43.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -42.85 -49.85 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 m -109.38 105.22 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.81 91.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.97 13.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.5 t -66.87 117.37 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 m -141.91 178.07 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -159.77 108.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 94.02 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -67.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -49.92 143.39 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -98.41 -55.55 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 -139.4 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -94.76 83.5 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -73.27 -42.9 61.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -36.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -74.13 -36.89 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm -45.6 -50.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.53 -53.98 23.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -43.86 -47.55 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -51.79 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 66' ' ' TYR . 93.2 t -45.64 -49.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' HIS . 43.9 mtm180 -48.84 -70.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.507 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.1 t-160 -37.21 -58.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -44.98 -64.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.95 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.2 ttpt -50.48 -35.73 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.28 -46.64 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 46.2 mt -71.01 -55.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.19 -9.45 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.7 mmt -82.12 -40.78 21.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -20.16 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -81.31 -32.78 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 29' ' ' THR . 0.9 OUTLIER -79.26 -40.07 31.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 30' ' ' ASP . 1.7 t -69.94 -22.26 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' N ' HG21 ' A' ' 29' ' ' THR . 5.2 t70 -81.04 -37.29 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -85.05 -177.51 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -94.36 30.13 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.84 -38.04 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttm 47.65 38.59 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -89.34 148.75 41.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.162 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.15 47.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -41.19 -36.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -49.6 -58.44 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' NZ ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -38.47 -66.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.92 -57.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.93 -64.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.4 mtmt -33.8 -52.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.69 -59.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.08 -37.89 35.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.9 m -59.27 -36.83 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -37.24 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -41.23 -57.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' OE2' ' CG2' ' A' ' 16' ' ' VAL . 4.7 mm-40 -72.48 -26.89 61.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -57.99 -40.85 81.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -89.62 -37.62 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 62' ' ' TYR . 5.7 tp -57.04 -48.79 77.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.34 -24.74 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.8 t -85.17 -21.97 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -82.4 -49.74 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -85.5 -30.05 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 63.99 30.54 14.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.44 163.97 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -112.42 50.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -95.85 -175.7 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.09 57.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -67.91 -21.61 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE1' HD22 ' A' ' 51' ' ' LEU . 86.4 t80 -82.26 -50.56 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -71.45 -51.65 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -38.61 -41.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -72.78 -43.62 62.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 16' ' ' VAL . 2.4 t80 -53.39 -52.64 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 2.6 ptm85 -64.77 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -65.69 -36.92 85.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.5 mt -80.8 -39.31 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.434 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 2.4 ppp? -78.3 -13.58 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.31 -44.04 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -68.56 -20.44 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.69 -46.93 62.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -73.79 -29.64 62.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.2 129.94 12.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.88 23.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -10.31 59.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -124.81 92.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -111.07 2.57 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.9 mt -95.24 -33.98 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.56 -59.58 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CE2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -49.04 -34.76 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 31.1 mttt -73.57 -68.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 41.3 mtmt -34.26 -40.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.4 -53.17 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 86' ' ' LEU . 10.3 mp -61.01 -52.42 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -57.54 -35.86 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 125.69 -28.99 4.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 19.8 mm-40 -34.94 -43.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -117.2 112.17 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -68.1 149.95 97.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.569 0.699 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.98 35.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -100.68 -4.05 29.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -110.35 -32.05 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.35 -24.84 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.8 mt -80.21 -42.6 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.16 -19.23 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 mtm -75.91 134.48 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 156.4 38.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -19.11 36.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -89.18 -16.2 31.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.78 -16.94 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.12 -29.25 70.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -92.25 -43.95 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 104' ' ' ALA . 8.3 t -34.76 98.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -81.99 71.58 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.23 123.75 40.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 110' ' ' ALA . 3.4 tp -66.51 -60.07 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.38 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -43.2 -51.33 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.425 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 15.8 m95 -77.84 142.88 38.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -76.1 -61.11 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -108.67 152.54 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -110.92 81.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 p -75.32 138.98 42.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.93 146.23 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 87.85 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 p -115.24 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.4 t 70.44 42.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -85.48 130.92 34.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -106.48 114.72 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.61 -107.36 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -103.58 45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -83.49 96.4 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.51 -96.79 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -62.6 149.04 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.45 -58.09 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.0 -54.83 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -55.7 -52.98 62.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.22 -57.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -56.63 -49.88 73.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -44.31 -54.39 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -53.33 -42.3 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 66' ' ' TYR . 74.8 t -54.96 -55.56 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -52.54 -63.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -47.16 -61.09 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -43.63 -59.25 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.53 -54.68 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -58.75 -36.41 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -55.17 -45.92 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.22 -62.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.8 mt -48.86 -22.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 mmt -75.24 -45.18 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -12.4 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.513 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 15.6 mmm180 -94.22 -39.64 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.62 -40.77 40.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -68.63 -18.84 64.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.46 -30.19 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m -90.15 -177.56 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -81.4 46.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mt -105.85 -65.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 57.29 31.54 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.59 151.42 84.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -38.07 -37.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -50.29 -48.02 55.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -60.82 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.51 -58.11 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -51.92 -66.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.2 mtpm? -34.08 -56.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 ' CG1' ' A' ' 85' ' ' VAL . 89.9 t -55.09 -56.4 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.1 -48.09 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.3 m -55.38 -33.75 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -43.69 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD13 ' CB ' ' A' ' 92' ' ' PRO . 48.2 mm -37.95 -58.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -65.25 -38.58 90.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -49.31 -36.08 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.89 -49.56 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.4 tp -51.62 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -42.4 -37.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -81.15 -27.46 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 51' ' ' LEU . 49.1 t80 -69.75 -45.71 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -93.98 -27.13 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 61.51 35.18 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -174.89 152.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 p -111.15 56.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -111.6 -179.5 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.29 -54.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.35 -43.27 33.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ASP . 46.4 t80 -56.96 -67.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . 23.8 mttt -51.95 -53.9 35.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . 21.9 t30 -34.44 -45.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -75.81 -53.81 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.421 ' CE1' HG11 ' A' ' 16' ' ' VAL . 1.5 t80 -43.11 -49.73 6.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 12.1 ptt180 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.2 t -64.46 -35.5 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -58.4 -48.59 80.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.6 ptm -83.51 -26.67 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -43.67 -36.5 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 78' ' ' ASN . 10.3 m-80 -91.77 -27.53 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 82' ' ' PHE . 91.0 mt -66.34 -43.31 86.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -28.69 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.45 141.29 93.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.8 Cg_endo -69.8 -50.44 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -28.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 6.3 m-20 -116.94 86.41 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.403 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 18.3 p30 -105.56 36.49 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' LYS . 10.1 mm -130.82 -56.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' ILE . 12.6 tp -33.5 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 27' ' ' ARG . 10.3 p90 -44.48 -41.1 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' ILE . 22.1 ttmt -68.48 -57.7 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 83' ' ' LYS . 4.5 mmpt? -35.86 -53.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 43' ' ' VAL . 37.5 t -56.78 -44.15 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 83' ' ' LYS . 10.5 mp -65.37 -56.12 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -55.72 -52.3 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.81 27.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -99.71 -48.24 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.575 ' CG2' ' CH2' ' A' ' 111' ' ' TRP . 4.5 t -100.66 116.73 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.2 p -66.81 146.87 99.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.709 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.8 -16.31 37.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.46 -39.53 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ARG . 21.6 t60 -71.91 -39.12 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' HIS . 2.5 tt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 51' ' ' LEU . 20.2 mt -74.83 -46.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' HIS . 62.9 mtp180 -79.48 -8.11 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 mtp -57.41 133.67 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -64.53 161.32 44.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -9.34 25.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -102.09 -23.63 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.72 -42.1 29.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.496 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 80.8 mt -44.3 -26.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.97 -28.24 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 m -40.06 108.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 107' ' ' GLU . 26.2 ttpt -99.42 -54.57 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' LYS . 18.2 mm-40 -35.04 140.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.77 -56.66 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.46 -36.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.68 -50.76 31.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.575 ' CH2' ' CG2' ' A' ' 90' ' ' VAL . 14.0 m95 -50.34 -64.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -143.87 157.85 44.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 114' ' ' ARG . 8.3 tpt180 72.64 33.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 113' ' ' ARG . 54.5 mtp180 -37.32 153.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.6 t -49.05 151.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.4 -94.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 90.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -157.72 156.78 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.8 m -79.74 127.58 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -63.54 91.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -153.0 161.83 42.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.29 85.77 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -73.35 87.72 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 m 63.7 35.61 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.82 -5.87 10.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -118.69 51.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . . . -133.19 -41.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.3 t0 -34.94 -42.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.91 -52.69 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.2 -50.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -60.35 -41.69 94.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -54.24 -53.65 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.8 m -54.56 -43.93 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.527 HG11 ' CE1' ' A' ' 66' ' ' TYR . 74.2 t -47.49 -43.39 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtt85 -57.9 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -46.57 -50.9 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -50.54 -54.58 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.06 -51.32 69.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.8 ttpt -60.76 -30.38 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.39 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.34 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -51.42 -17.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.8 mmt -78.45 -53.89 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.64 -17.17 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -85.96 -32.86 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -83.08 -41.83 18.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t -58.7 -36.78 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.17 -7.23 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LEU . 24.2 m -103.11 31.8 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 39.34 26.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' SER . 12.5 mt -74.72 113.47 12.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -86.66 38.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.75 149.35 40.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.72 51.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -47.81 -35.15 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -56.34 -42.41 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.87 -55.8 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -46.88 -67.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 47.2 mttt -37.36 -55.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.71 -52.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.56 69.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.3 m -50.45 -25.59 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 23.2 mttt -85.41 -45.38 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 92' ' ' PRO . 32.9 mm -37.45 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.0 -55.55 21.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . 62.5 tttm -36.79 -35.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.82 -37.44 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD23 ' CE1' ' A' ' 62' ' ' TYR . 3.0 tp -64.45 -59.31 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ARG . 33.9 t80 -50.82 -43.92 59.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -66.14 -51.63 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -45.63 -65.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -71.98 -43.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 16.6 ttt180 72.12 30.55 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -171.12 148.73 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.4 p -99.81 57.55 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -103.14 -178.73 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.64 -46.32 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -52.83 -59.57 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.48 ' CE1' HD23 ' A' ' 51' ' ' LEU . 79.4 t80 -49.61 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -44.82 -47.8 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.15 -50.04 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.03 -36.43 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CE1' HG11 ' A' ' 16' ' ' VAL . 1.9 t80 -65.69 -61.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -12.1 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -88.12 -38.44 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.36 -50.64 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.504 ' SD ' ' CE1' ' A' ' 66' ' ' TYR . 12.0 ptm -71.43 -33.86 69.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -42.43 -40.92 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -82.98 -32.28 27.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.5 mt -57.69 -49.68 75.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -68.03 -29.25 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.0 t0 -36.87 119.7 0.78 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.84 28.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.286 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -8.09 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -115.37 90.52 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.25 47.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' LEU . 24.4 mt -132.2 -58.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' ILE . 6.5 tp -34.6 -68.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 9.6 p90 -41.77 -44.3 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 23.3 ttmt -65.24 -46.69 79.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -59.74 -41.09 90.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.0 -56.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.6 mp -56.56 -51.41 68.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -57.47 -50.43 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.46 -18.49 2.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.08 -34.2 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.37 149.69 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.18 153.07 38.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' CB ' HD13 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.71 -13.26 34.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -91.59 -45.38 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -70.81 -33.07 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.0 tp -43.21 -31.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.9 mt -72.49 -49.74 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -56.52 -29.54 61.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 47.0 mmm -52.4 152.18 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -81.69 152.56 69.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.35 -17.23 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.08 -45.27 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.6 mt -41.57 -34.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -87.81 -37.64 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' ALA . 13.9 t -36.45 134.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -100.11 60.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -129.42 140.76 51.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -123.33 -27.63 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.98 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' TRP . . . -45.95 -57.13 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ALA . 15.3 m95 -35.8 141.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -74.53 -46.47 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -103.35 168.89 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -162.73 166.47 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 p -50.48 150.42 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -51.66 166.88 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.59 13.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.354 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.0 p -62.86 137.75 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.0 p -134.92 108.5 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -99.14 130.71 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -104.57 -45.3 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.86 -124.97 6.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -134.05 120.81 20.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -112.14 127.55 55.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.48 -110.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -43.13 148.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.73 94.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 -43.33 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.44 -51.1 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -50.6 -59.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -53.52 -50.18 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -50.91 -52.31 43.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -50.95 -46.11 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -45.94 -49.07 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.61 -68.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' SER . 56.0 t-80 -53.21 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.449 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 2.2 m -36.48 -52.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.93 -59.43 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' HE2' ' CB ' ' A' ' 41' ' ' ALA . 9.8 ttmt -47.57 -50.28 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.5 t0 -34.39 -53.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 45.5 mt -63.74 -61.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.2 mt -54.09 -17.13 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 4.9 mmt -79.7 -43.95 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.03 -19.37 34.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -84.25 -39.14 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -75.12 -32.23 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.5 t -77.76 -18.1 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 -41.15 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -71.61 179.79 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.98 38.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.2 mt -106.71 125.33 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -103.08 50.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 m -92.06 147.52 34.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 111.148 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 168.84 20.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -68.78 -25.33 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.36 -35.04 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.39 -69.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -54.2 -61.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . . . -35.56 -49.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 32.4 mttm -59.47 -52.2 66.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.66 -58.58 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.98 -48.69 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -56.97 -34.99 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 50' ' ' GLU . 3.1 mptp? -70.14 -50.51 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 92' ' ' PRO . 3.1 mm -45.23 -51.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.09 -22.64 64.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -73.85 -49.22 26.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 46' ' ' LYS . 2.0 pm0 -78.16 -50.73 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.0 tp -44.68 -59.93 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.59 -42.58 56.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.9 t -70.57 -29.25 65.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.29 -67.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 76.7 m-85 -78.1 -31.35 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 63.44 32.45 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -174.19 132.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.1 p -75.72 56.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -98.38 176.11 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -29.44 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -31.35 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 9.0 t80 -79.83 -45.2 19.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -40.64 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.98 -35.2 61.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.94 -44.32 31.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' OH ' ' CB ' ' A' ' 19' ' ' SER . 1.2 t80 -56.48 -55.06 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -62.04 -30.7 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' PHE . 3.6 m -70.3 -61.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.45 -40.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.431 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 3.1 ptm -88.42 -24.41 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' SER . 68.2 t80 -47.15 -45.87 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 10.3 m-80 -81.54 -40.91 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.5 mt -51.14 -54.43 25.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -60.33 -11.88 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 t70 -72.57 140.02 81.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.7 -5.47 16.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -95.54 -40.76 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.41 78.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.592 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 17.3 m120 -96.75 -33.94 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.5 mt -78.91 -31.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -53.02 -65.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 79' ' ' ASN . 2.8 p90 -56.23 -50.03 72.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 13.4 ttmt -55.03 -35.44 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -70.01 -44.37 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -74.77 -53.58 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -56.0 -37.15 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 132.71 -28.25 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.6 mm-40 -34.6 -56.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 91' ' ' THR . 20.2 t -107.03 136.72 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -90.52 156.0 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' CB ' HD12 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.72 -10.59 28.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.43 -37.02 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -84.12 -24.45 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -52.24 -21.68 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.12 -51.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -57.32 -21.4 34.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.4 mtp -49.28 154.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -99.27 156.6 35.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -26.34 27.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.67 -18.32 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' SER . 64.2 mm-40 -90.75 -41.87 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.8 mt -43.35 -28.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.82 -36.9 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 102' ' ' GLU . 15.8 p -39.41 150.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 107' ' ' GLU . 6.8 ttpm? -116.88 -38.15 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 106' ' ' LYS . 1.3 mp0 -35.23 134.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' ALA . 12.8 mt -98.55 -52.03 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.11 -27.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -43.37 -49.4 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -49.74 153.49 1.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -61.79 -41.2 97.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -59.08 109.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.19 120.79 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -65.37 110.94 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.32 171.96 35.47 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -38.01 8.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -50.7 -51.0 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.2 m -109.42 125.91 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -83.13 148.91 27.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -135.49 139.74 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.21 91.81 2.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -144.45 168.32 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 77.8 p -100.63 93.21 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.91 73.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -102.45 38.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' A' ' 12' ' ' ILE . . . -88.95 -40.23 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -38.02 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -74.55 -30.79 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' CG1' ' HA ' ' A' ' 9' ' ' ALA . 15.5 mm -49.72 -60.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.78 96.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -49.71 -53.59 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -56.87 -46.32 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -50.72 -42.64 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.38 -67.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -45.78 -33.76 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.9 m -67.9 -64.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 52.4 mt -48.17 -47.2 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 20.1 ttpt -56.0 -56.26 22.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.5 t70 -34.74 -60.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 mt -49.7 -63.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -48.95 -33.56 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.425 ' CE ' ' HG3' ' A' ' 37' ' ' GLU . 12.0 mtp -71.3 -67.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -24.57 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.02 -57.25 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 pp -56.13 -39.32 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -63.15 -28.75 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.58 -54.9 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -56.66 -177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -98.64 59.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -106.63 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.4 32.36 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.4 m -81.71 148.31 61.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 144.58 54.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.411 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 10.1 tt0 -43.17 -46.62 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -43.4 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.38 -53.27 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.17 62.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.2 mttt -53.42 -54.54 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.43 HG11 ' CG1' ' A' ' 85' ' ' VAL . 88.5 t -51.66 -57.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.99 -43.92 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -61.61 -31.38 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mptm? -76.63 -44.42 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -37.24 -74.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 mp0 -46.8 -56.71 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 21.7 tttt -34.7 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.5 tp10 -92.5 -51.25 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 62' ' ' TYR . 9.0 tp -50.22 -59.66 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.29 -25.54 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -85.71 -15.31 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -94.76 -38.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -90.1 -38.11 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.8 mtt85 60.91 32.15 20.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -171.07 118.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -80.43 55.35 2.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -106.12 -178.46 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -37.1 -65.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.5 mtpt -36.38 -63.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 51' ' ' LEU . 44.7 t80 -39.09 -51.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -65.15 -45.04 86.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.36 -47.77 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.2 -54.96 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -44.52 -54.9 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 68' ' ' SER . 7.4 ptm180 -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 39.3 m -76.62 -24.08 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.31 -42.74 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.439 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 11.6 ptm -87.94 -24.71 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 26.2 t80 -54.54 -34.41 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -89.44 -28.83 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 70' ' ' MET . 40.2 mt -62.03 -36.43 81.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 10.8 ptmm? -83.73 -30.09 26.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.8 t0 -36.98 120.28 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.94 29.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -97.15 -18.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 78' ' ' ASN . 7.0 t30 -89.32 -75.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 40.58 41.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 84' ' ' LYS . 2.4 mm -129.32 -49.5 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.449 ' CD2' HD22 ' A' ' 103' ' ' LEU . 8.4 tp -56.72 -52.31 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 2.3 p90 -48.32 -41.29 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 15.5 ttmt -76.83 -37.35 55.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HE3' ' CZ2' ' A' ' 111' ' ' TRP . 14.1 mtpt -57.47 -53.96 52.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.438 HG21 ' CD1' ' A' ' 95' ' ' LEU . 25.4 t -59.81 -49.02 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.56 -58.17 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -55.93 -31.4 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.97 -23.11 6.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.67 -66.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 91' ' ' THR . 15.9 t -92.59 155.87 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 17.9 p -103.09 150.02 37.46 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.37 25.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 -44.35 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 95' ' ' LEU . 33.6 t60 -70.2 -36.55 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 85' ' ' VAL . 4.4 tt -37.21 -40.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.77 -49.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -57.3 -21.89 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.8 mtp -64.47 163.66 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -99.16 159.61 29.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 0.86 5.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -107.83 -33.3 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.04 -41.72 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 81' ' ' LEU . 13.5 mt -40.84 -41.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -84.89 -40.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ALA . 36.7 m -34.47 143.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -110.86 57.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -96.91 102.32 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.94 -50.56 10.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.55 -35.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -46.36 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ2' ' HE3' ' A' ' 84' ' ' LYS . 9.5 m95 -57.38 147.58 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttm105 -87.68 49.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -146.51 144.16 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.96 157.68 38.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t -77.06 -60.05 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.78 174.77 18.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 98.05 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.6 m -162.83 173.78 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -151.96 114.46 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB1' HH21 ' A' ' 13' ' ' ARG . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.749 0.309 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.03 -50.98 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -46.74 -61.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.786 ' O ' HG23 ' A' ' 16' ' ' VAL . 79.2 mt -41.02 -53.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 52' ' ' PHE . 31.6 mtt180 -61.33 -47.83 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -51.48 -59.9 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -49.02 -49.66 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 12' ' ' ILE . 95.6 t -43.44 -43.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -54.56 -65.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -52.15 -58.48 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m -39.62 -53.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.08 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -42.0 -36.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.82 -52.19 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mt -61.24 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.62 HD22 HD11 ' A' ' 86' ' ' LEU . 30.6 mt -57.66 -12.04 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 2.8 mmt -90.89 -51.22 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -17.52 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -89.08 -56.66 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.752 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -57.66 -41.75 82.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.551 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.0 t -58.3 -29.21 65.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.9 -11.27 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -97.46 23.5 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m120 45.2 26.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.8 mt -71.17 116.74 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -84.44 37.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.25 147.93 38.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.64 35.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG3' ' HE3' ' A' ' 25' ' ' MET . 27.1 tt0 -44.22 -31.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.78 -39.86 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.53 -66.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.08 -52.26 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.9 -67.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -38.25 -57.93 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 39' ' ' LYS . 72.0 t -48.45 -52.5 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.38 -66.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.9 m -42.82 -33.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' ILE . 13.8 mmtm -71.36 -48.61 49.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.4 mm -36.83 -48.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' OE2' HG12 ' A' ' 16' ' ' VAL . 8.2 mp0 -67.5 -45.49 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -54.58 -27.51 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 96' ' ' ILE . 4.0 mm-40 -93.44 -41.21 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -66.07 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 13' ' ' ARG . 38.3 t80 -45.28 -28.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 t -78.85 -67.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -44.35 -37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.59 -37.48 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 60.77 26.03 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -166.56 153.56 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.3 p -110.23 55.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' ALA . 4.1 t70 -99.99 175.07 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -37.55 -57.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -44.44 -58.53 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CE1' HD23 ' A' ' 51' ' ' LEU . 40.4 t80 -41.53 -48.06 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -68.73 -41.41 79.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -51.2 -45.57 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CG ' HD11 ' A' ' 51' ' ' LEU . 8.2 tppt? -68.4 -43.95 76.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.9 t80 -58.46 -56.99 15.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -60.7 -17.15 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -88.39 -19.23 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.9 mt -86.38 -48.53 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.817 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.4 ptm -76.09 -19.38 58.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.05 -38.44 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -77.83 -6.92 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.4 mt -91.0 -44.34 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 8.0 t70 -43.04 139.97 2.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -34.31 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.75 -48.61 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -79.46 104.68 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -123.98 20.65 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.76 -35.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 81' ' ' LEU . 9.7 tp -45.78 -61.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.946 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.9 p90 -50.3 -27.92 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 22.9 mttt -85.05 -30.21 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -64.0 -55.56 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.13 -45.55 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.6 mp -60.79 -58.12 9.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -55.96 -40.84 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.07 -18.53 4.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -42.14 -51.05 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.02 151.09 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.02 152.91 37.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.11 20.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -98.89 -45.35 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -73.84 -32.59 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -46.19 -28.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 50' ' ' GLU . 12.9 mt -76.19 -38.77 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 9.0 mtp-105 -71.59 -19.63 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.4 mtp -59.92 125.83 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -65.47 158.23 74.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -11.52 31.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -98.94 -12.33 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.57 -38.61 11.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 100' ' ' PRO . 9.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.31 -48.48 76.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.32 -51.56 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' ALA . 78.9 mt -43.52 -58.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.4 -47.36 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.76 -57.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -52.94 -43.85 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 66' ' ' TYR . 55.2 t -52.31 -51.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -47.98 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -40.74 -45.33 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 m -57.28 -50.24 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 48' ' ' GLU . 61.8 mt -58.58 -45.06 89.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 22.9 ttpp -66.27 -33.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.48 -56.44 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.412 HD11 ' NZ ' ' A' ' 74' ' ' LYS . 50.6 mt -58.43 -65.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD11 ' A' ' 86' ' ' LEU . 14.4 mt -47.45 -36.5 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.443 ' HE1' ' HA ' ' A' ' 37' ' ' GLU . 9.1 mmt -61.01 -34.92 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HA ' HG22 ' A' ' 29' ' ' THR . 1.3 tmtm? -86.88 -26.59 23.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -78.17 -25.71 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -84.75 -34.03 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 26' ' ' LYS . 14.6 t -79.11 -29.88 43.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -34.47 57.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -88.17 -176.05 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -88.26 45.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 83' ' ' LYS . 11.3 mt -103.32 129.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -105.93 11.88 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.6 149.18 31.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 157.92 58.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 29.9 tt0 -64.23 -21.75 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.94 -24.88 59.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE2' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -55.57 -58.52 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.0 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -52.97 -56.82 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -48.87 -47.0 43.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' HE2' ' A' ' 39' ' ' LYS . 40.3 t -59.34 -62.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.82 -49.91 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -54.86 -36.84 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -75.21 -14.68 60.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.498 HD13 ' CB ' ' A' ' 92' ' ' PRO . 30.4 mm -76.06 -53.38 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.7 -48.94 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -46.77 -31.89 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 93' ' ' ASP . 20.8 tp10 -92.44 -42.94 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.1 tp -56.27 -61.4 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -49.52 -31.31 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -74.61 -63.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -43.84 -54.08 5.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.14 -38.69 60.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 70.91 25.86 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -168.96 164.82 11.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -122.44 56.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' TYR . 12.1 p-10 -113.6 -173.88 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.89 -51.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -55.69 -39.24 70.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.6 t80 -64.67 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -51.87 -48.87 63.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.75 -51.01 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 69' ' ' LEU . 14.1 tppt? -66.03 -43.33 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.6 t80 -58.78 -62.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 4.2 ptp180 -55.1 -20.5 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -81.27 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.9 mt -41.64 -36.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.8 ptm -87.06 -32.71 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -39.26 -38.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 6.5 m120 -84.61 -35.35 22.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 70' ' ' MET . 56.4 mt -57.71 -47.99 80.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' NZ ' HD11 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -68.8 -15.07 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.45 138.93 96.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -21.35 33.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -81.19 -44.43 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 72' ' ' ASN . 23.9 m120 -68.53 84.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 2.3 p30 -105.65 -5.4 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' HZ3' ' A' ' 84' ' ' LYS . 16.7 mt -101.3 -42.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 84' ' ' LYS . 11.6 tp -51.57 -61.77 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.5 p90 -49.82 -20.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 20.3 mttm -90.29 -33.09 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.712 ' HE2' HD12 ' A' ' 81' ' ' LEU . 33.0 mtmm -70.21 -37.87 75.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.22 -40.63 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -70.9 -56.28 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -56.27 -49.37 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 141.5 -26.26 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLY . 32.5 mt-10 -36.08 -37.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.58 124.76 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 p -76.03 150.42 83.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.498 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.77 -30.03 22.86 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' HG2' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.0 -22.99 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' ARG . 33.5 t60 -90.17 -31.71 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' HD13 ' A' ' 69' ' ' LEU . 44.6 tp -46.69 -20.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.23 -34.07 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' HIS . 52.2 mtt85 -74.89 -22.33 58.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 36.8 mtp -58.56 158.94 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -85.04 151.15 56.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.5 Cg_endo -69.77 -16.1 37.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.44 -11.36 25.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.22 -29.16 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 100' ' ' PRO . 7.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.15 -42.21 99.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -28.89 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 16' ' ' VAL . 92.9 mt -63.56 -73.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -47.23 -32.91 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.43 -65.55 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -46.49 -35.29 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 12' ' ' ILE . 72.0 t -49.7 -59.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 20.9 mtm180 -36.24 -65.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -38.68 -53.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' ASP . 1.3 t -52.32 -67.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD12 ' OE1' ' A' ' 48' ' ' GLU . 63.6 mt -38.72 -45.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.37 -38.8 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' SER . 9.3 t0 -54.29 -49.85 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 48.1 mt -64.28 -60.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 86' ' ' LEU . 13.8 mt -53.53 -28.74 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 mmt -68.56 -31.36 70.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -91.96 -33.63 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 19.8 mmm180 -71.14 -24.64 62.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -90.96 -32.81 15.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -75.32 -26.69 58.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -84.19 -36.41 22.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.5 p -77.45 -176.26 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -88.71 40.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.03 129.93 46.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -106.99 20.19 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -64.45 149.0 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.45 27.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.06 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.34 -33.52 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.57 -51.11 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -54.98 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.7 mttp -35.26 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.562 HG11 ' CG1' ' A' ' 85' ' ' VAL . 43.2 t -61.53 -59.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.98 -43.79 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ILE . 7.4 mmtp -81.61 -47.46 13.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LYS . 8.5 mm -36.9 -69.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.65 -40.28 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -56.69 -38.01 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HB2' HD11 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -83.19 -41.72 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.9 tp -64.37 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -56.87 -32.58 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.1 t -78.44 -22.67 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -81.01 -45.72 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.18 -19.64 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 54.62 26.84 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 58' ' ' THR . 65.9 t0 -173.38 142.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 p -93.48 55.31 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -98.15 -175.14 3.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.13 -41.49 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -59.99 -20.06 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.851 ' CE2' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -91.41 -46.15 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.93 -48.91 79.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -47.01 -47.56 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' HD11 ' A' ' 51' ' ' LEU . 11.8 tppt? -65.55 -40.04 92.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -56.78 -64.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 67' ' ' ARG . 1.5 ptp180 -51.75 -35.76 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 t -63.81 -35.91 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD22 ' HG ' ' A' ' 95' ' ' LEU . 16.2 mt -65.39 -51.51 59.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 73' ' ' LEU . 8.7 ptm -75.3 -19.28 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.9 -32.24 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' CG ' ' HB3' ' A' ' 103' ' ' LEU . 8.1 m-80 -91.3 -7.33 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 70' ' ' MET . 30.1 mt -95.19 -33.78 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.65 -24.14 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.45 136.01 91.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -29.88 23.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -73.78 -2.04 21.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 34.0 t-20 -131.85 112.74 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -130.44 24.39 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' LYS . 12.7 mt -114.92 -53.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 tp -36.64 -60.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.657 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -52.38 -33.72 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 31.8 mtpt -74.33 -39.15 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -70.38 -35.66 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.562 ' CG1' HG11 ' A' ' 43' ' ' VAL . 87.9 t -67.98 -36.35 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.7 mp -82.31 -49.61 9.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -59.09 -45.48 90.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.79 -22.11 4.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -43.45 -25.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -126.72 140.31 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.71 148.66 35.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -5.45 16.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.84 -17.55 14.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -99.22 -32.65 11.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.6 tp -47.09 -27.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 50' ' ' GLU . 28.8 mt -74.92 -53.31 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -54.15 -24.02 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 43.3 mtp -53.04 140.65 24.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -80.71 156.3 72.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.71 -1.94 9.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -103.93 -31.4 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.99 -43.12 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.75 -46.82 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.82 -48.71 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 16' ' ' VAL . 78.5 mt -48.18 -52.88 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 11.6 mtp-105 -59.48 -48.36 81.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -56.57 -42.77 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 22.6 t -64.84 -57.29 9.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 12' ' ' ILE . 62.0 t -34.51 -50.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' HIS . 59.3 mtt180 -46.63 -71.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -35.22 -59.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.43 -51.06 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.49 -54.46 35.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' CD ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 ttpm? -55.73 -25.17 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.21 -41.47 77.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD22 HD11 ' A' ' 86' ' ' LEU . 30.9 mt -51.94 -19.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -71.72 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -66.77 -23.18 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 82' ' ' PHE . 26.8 mmm180 -78.6 -43.17 27.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.3 pp -75.75 -42.02 51.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -63.33 -23.26 67.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -91.09 -25.49 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -95.45 160.5 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -55.3 -17.43 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.586 ' HB3' HG13 ' A' ' 35' ' ' VAL . 63.9 mt -38.82 -57.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 50.97 26.62 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 28' ' ' LEU . 18.4 m -65.87 151.26 95.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 139.28 40.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 22.8 tt0 -42.21 -29.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.68 -45.1 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -60.66 -68.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.55 -44.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . . . -69.16 -37.64 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . 27.3 mtmt -58.78 -41.61 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.38 -61.62 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.73 -49.67 37.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.5 m -50.22 -39.33 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 4.1 mptt -73.7 -46.68 44.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' LYS . 27.2 mm -37.55 -66.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.99 -52.47 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -38.64 -44.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -82.65 -43.67 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.969 HD23 ' CE1' ' A' ' 62' ' ' TYR . 4.5 tp -59.34 -68.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 74.2 t80 -39.92 -30.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -50.2 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -51.55 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.35 -24.58 65.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 51.48 31.29 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -172.57 149.77 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -100.62 54.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 60' ' ' ALA . 23.9 t70 -97.93 170.96 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.7 -49.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 28.5 mttt -48.68 -61.3 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.969 ' CE1' HD23 ' A' ' 51' ' ' LEU . 68.9 t80 -34.67 -58.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 56.6 mttt -58.67 -53.38 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LYS . 8.3 t30 -37.0 -49.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.707 ' HD2' HD21 ' A' ' 69' ' ' LEU . 16.8 tppt? -69.63 -54.9 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -43.35 -55.02 4.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' SER . 8.4 ptp180 -57.3 -36.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 3.9 m -67.68 -39.8 84.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 65' ' ' LYS . 61.6 mt -59.65 -39.36 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.5 ptm -89.51 -23.15 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -53.26 -40.48 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.2 m-80 -81.44 -18.02 46.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -80.62 -45.42 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -70.49 -42.52 71.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.06 138.16 7.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -41.17 4.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -55.22 -24.99 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 m120 -100.54 97.29 8.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.401 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 11.1 p30 -120.86 25.24 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.431 HG22 ' CE ' ' A' ' 84' ' ' LYS . 25.0 mm -123.57 -32.69 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 HD22 ' A' ' 103' ' ' LEU . 10.2 tp -63.27 -62.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.945 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.8 p90 -41.78 -30.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 33' ' ' LEU . 15.3 ttmm -84.74 -68.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.0 mtmt -34.27 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' LEU . 48.1 t -68.4 -49.77 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.945 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.5 mp -64.83 -53.5 45.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -55.98 -32.63 64.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 123.46 -28.71 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 39.9 mm-40 -34.62 -44.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -118.6 133.76 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.1 p -85.13 148.33 50.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -15.17 37.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -32.9 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -85.97 -29.85 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 95' ' ' LEU . 4.8 tt -47.59 -22.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -79.14 -45.65 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -71.28 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.436 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 mmm -63.29 162.89 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -95.27 155.36 38.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.44 36.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -103.11 -11.33 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -88.54 -34.1 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 81' ' ' LEU . 9.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.27 -31.5 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' ILE . 28.0 tp60 -72.97 -59.22 2.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 80.3 mt -37.7 -45.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -67.69 -47.21 70.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -53.77 -54.13 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -38.72 65.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' ILE . 86.8 t -57.85 -40.83 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' A' ' 45' ' ' THR . 66.7 mtt180 -62.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' SER . 16.0 m170 -44.86 -62.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.2 t -36.77 -64.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -42.53 -57.64 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -53.86 -30.86 47.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.96 -48.37 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.546 HD11 ' HE3' ' A' ' 74' ' ' LYS . 44.5 mt -65.02 -63.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 86' ' ' LEU . 34.0 mt -49.43 -25.77 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.1 mmt -69.97 -65.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.66 58.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -87.45 -34.21 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.1 pp -84.0 -40.77 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.463 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.7 t -61.2 -23.22 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.76 -39.14 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -76.09 173.14 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 38.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 8.3 mt -84.33 -56.69 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt 59.2 45.74 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 86' ' ' LEU . 34.7 m -96.5 151.89 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.99 55.96 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -45.91 -38.6 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -48.6 -38.43 20.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -66.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.05 -60.53 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.73 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 37.1 mtpt -39.38 -54.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 85' ' ' VAL . 45.8 t -57.26 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.23 -34.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 ' NH1' ' A' ' 17' ' ' ARG . 20.2 m -67.96 -38.71 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -71.53 -45.06 63.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.428 HG22 ' OE2' ' A' ' 48' ' ' GLU . 4.9 mm -37.24 -60.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' OE2' HG22 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -67.59 -45.53 75.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -43.83 -32.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -44.02 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.858 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.5 tp -58.58 -59.5 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -45.91 -38.94 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.8 t -73.39 -48.39 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.33 -44.59 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.63 -17.0 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 38.07 32.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 1.3 p30 -174.6 141.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -94.34 59.11 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -95.43 170.36 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.55 -44.26 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' TYR . 24.0 mtmt -56.06 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.858 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.5 t80 -34.68 -64.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -57.78 -51.93 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -41.27 -40.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.52 -43.43 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.709 ' CE1' HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -52.96 -17.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -87.9 -57.35 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.794 HD11 ' HA ' ' A' ' 96' ' ' ILE . 22.1 mt -49.82 -32.24 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 73' ' ' LEU . 20.8 ptm -89.33 -23.26 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -37.79 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.13 -37.13 78.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 70' ' ' MET . 53.6 mt -53.93 -58.43 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 23' ' ' ILE . 9.6 ptpp? -69.31 -33.15 72.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.6 t70 -38.31 134.53 0.92 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -26.51 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -80.92 -36.22 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -99.02 98.78 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -121.71 40.06 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 84' ' ' LYS . 11.0 mt -129.65 -50.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' HD23 ' A' ' 73' ' ' LEU . 10.4 tp -36.46 -63.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' HD13 ' A' ' 86' ' ' LEU . 5.3 p90 -39.79 -39.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 19.5 tttm -79.11 -44.67 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HG3' HG22 ' A' ' 80' ' ' ILE . 26.0 mttt -51.36 -43.79 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 43' ' ' VAL . 40.6 t -68.1 -57.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 82' ' ' PHE . 6.8 mp -49.67 -53.09 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 mmmp? -61.73 -41.33 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 131.48 -26.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLY . 5.5 mm-40 -36.21 -50.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 84' ' ' LYS . 21.9 t -106.75 126.86 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 147.05 64.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.95 35.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -95.03 -24.81 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ARG . 22.7 t60 -88.35 -37.61 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 81' ' ' LEU . 16.3 tp -41.07 -27.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.794 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.6 mt -77.65 -42.5 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' HIS . 51.0 mtp180 -69.82 -24.26 63.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.1 mtp -58.98 138.38 57.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.63 150.8 95.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.585 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.83 -12.23 32.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.361 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -101.79 -30.08 11.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.12 -40.35 65.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 100' ' ' PRO . 10.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.46 -28.27 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.74 -37.44 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.11 -70.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -43.86 -38.97 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -49.71 -38.66 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.697 HG13 ' CE1' ' A' ' 66' ' ' TYR . 69.6 t -50.66 -43.22 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -53.51 -62.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -47.87 -54.13 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.2 m -46.57 -67.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -43.08 -60.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' ASP . 29.9 ttpt -45.79 -58.0 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.6 t70 -34.36 -59.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.9 mt -50.77 -64.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 86' ' ' LEU . 33.0 mt -48.72 -32.44 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.538 ' SD ' ' HB3' ' A' ' 40' ' ' ALA . 62.6 mmm -72.86 -38.36 67.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -20.06 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 25.0 mmm180 -90.92 -18.97 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -95.67 -37.31 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.484 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -70.56 -23.97 62.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.81 -44.59 7.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -68.72 -179.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.94 41.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.42 139.13 40.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -122.48 27.66 7.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.34 149.57 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.51 67.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -50.27 -29.8 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.41 -39.56 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -43.29 -64.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HB3' ' SD ' ' A' ' 25' ' ' MET . . . -59.75 -59.22 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.95 -32.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -74.61 -41.13 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 39' ' ' LYS . 97.9 t -57.63 -65.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.14 -51.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.7 m -51.54 -41.13 60.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CD ' ' HG3' ' A' ' 92' ' ' PRO . 72.4 mttt -70.2 -23.06 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 92' ' ' PRO . 34.0 mm -69.36 -51.61 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -38.65 -32.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -46.55 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.6 tp -64.06 -61.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -48.7 -24.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.6 t -82.65 -59.48 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -52.21 -37.43 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 39.4 m-85 -89.56 -21.07 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.1 ptp180 42.68 30.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -174.86 151.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 45.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 35.2 t0 -83.53 168.15 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -36.68 -52.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' TYR . 29.5 mtmt -46.3 -65.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.796 ' CE2' HD23 ' A' ' 51' ' ' LEU . 18.9 t80 -35.96 -44.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.86 -57.11 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -37.56 -42.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -72.62 -49.08 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -53.94 -60.27 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 39.4 ptt85 -49.82 -42.02 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 t -64.54 -47.69 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -38.88 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.58 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.5 ppp? -88.27 -13.75 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 35.6 t80 -66.8 -47.65 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -69.56 -34.73 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 70' ' ' MET . 95.2 mt -55.9 -44.4 78.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.81 -35.9 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -39.4 134.92 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -37.24 9.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.622 2.215 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -63.61 -41.15 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -87.88 98.5 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -121.22 30.35 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.04 -43.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 103' ' ' LEU . 10.6 tp -45.86 -69.3 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.0 p90 -40.78 -45.69 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 34.0 ttmt -60.38 -60.19 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 46.0 mtmt -48.54 -33.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.1 t -69.94 -62.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 24' ' ' LEU . 10.0 mp -51.95 -51.48 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -57.65 -37.98 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 129.23 -28.58 4.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' GLY . 17.4 mt-10 -34.78 -47.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -111.62 141.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.64 144.2 27.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -4.79 14.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -106.42 -16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -94.84 -29.93 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.9 tp -46.64 -27.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 mt -76.79 -43.01 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -66.34 -22.6 66.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mmm -58.85 171.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -106.35 156.24 37.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.715 0.769 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.21 25.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -106.9 -24.03 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.1 -37.6 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 81' ' ' LEU . 14.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -43.73 81.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -54.53 -52.42 62.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -48.05 -57.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -59.82 -54.06 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.2 -48.61 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -54.72 -47.41 73.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -44.6 -46.2 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' NE ' ' OG1' ' A' ' 45' ' ' THR . 41.7 mtp180 -46.44 -58.16 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' SER . 6.9 t-160 -54.12 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.438 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 3.8 m -36.38 -54.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.17 -63.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.3 ttpt -44.37 -35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.94 -54.6 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.546 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 55.3 mt -59.22 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.81 HD22 HD11 ' A' ' 86' ' ' LEU . 29.1 mt -48.1 -35.41 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.4 mmt -58.2 -34.75 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -91.82 -28.9 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.15 -20.63 57.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -94.2 -36.96 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 26' ' ' LYS . 6.1 t -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -37.11 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -77.81 170.72 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.21 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 mt -94.77 -65.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? 70.7 42.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.38 152.24 42.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.27 42.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 13.9 tt0 -42.37 -32.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.73 -43.5 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.11 -69.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.83 -60.16 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -41.05 -53.97 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -54.91 -58.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.17 -47.91 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.432 ' OG1' ' NE ' ' A' ' 17' ' ' ARG . 15.8 m -58.89 -24.6 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -90.98 -11.14 39.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 HG22 ' OE1' ' A' ' 48' ' ' GLU . 48.7 mm -73.26 -43.85 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.4 -52.39 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' GLU . 22.8 pttt -37.41 -38.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 96' ' ' ILE . 7.8 tp10 -89.96 -30.19 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -64.62 -61.15 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -53.46 -36.11 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 t -75.74 -36.07 60.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.94 -56.72 14.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -78.03 -38.67 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 73.55 29.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.84 146.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.7 p -100.8 57.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.3 m-20 -105.76 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.4 -66.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' ASN . 32.8 mtmt -37.86 -62.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.884 ' CE1' HD23 ' A' ' 51' ' ' LEU . 82.5 t80 -36.52 -52.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -29.73 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' LYS . 34.0 t-20 -63.74 -28.35 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -83.31 -39.74 20.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -62.9 -61.18 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -50.38 -28.62 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 t -77.56 -51.45 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 96' ' ' ILE . 8.0 mt -52.42 -38.5 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.546 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 5.0 ptm -84.48 -37.92 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -45.39 -34.68 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -87.0 -26.02 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.3 mt -68.51 -50.92 48.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -76.72 -17.23 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -50.68 128.96 26.95 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -26.78 27.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -78.02 -31.57 50.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 115.15 28.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.63 48.63 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 84' ' ' LYS . 19.8 mm -131.04 -57.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.487 HD21 HD11 ' A' ' 95' ' ' LEU . 12.1 tp -43.61 -63.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.868 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.2 p90 -41.95 -26.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -93.1 -33.75 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 80' ' ' ILE . 36.5 mtmt -68.66 -39.04 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 95' ' ' LEU . 77.3 t -73.47 -38.49 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.2 mp -71.64 -54.0 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -57.6 -44.1 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 137.62 -27.38 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.7 mm-40 -34.55 -48.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.81 146.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -93.57 155.05 41.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.35 30.84 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.9 -42.19 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ARG . 19.7 t60 -74.64 -35.29 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 85' ' ' VAL . 53.4 tp -44.79 -23.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.549 HG21 HD12 ' A' ' 51' ' ' LEU . 10.9 mt -84.55 -34.0 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' HIS . 13.1 ptm180 -103.9 34.74 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.1 mtp -97.21 140.37 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -46.96 144.47 3.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -103.13 -13.48 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.26 -32.15 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.03 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -43.54 -48.62 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' VAL . 85.8 mt -54.98 -54.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -57.72 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.65 -45.67 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -56.47 -42.71 78.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 20' ' ' LEU . 77.1 t -51.68 -53.84 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 31.9 mtm-85 -42.97 -61.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -52.22 -61.3 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -43.45 -62.39 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 HG12 ' A' ' 16' ' ' VAL . 80.1 mt -50.6 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ASP . 21.7 ttpt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.5 t0 -35.07 -58.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD12 ' HE2' ' A' ' 70' ' ' MET . 29.3 mt -48.77 -56.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' CD1' ' A' ' 86' ' ' LEU . 52.4 mt -58.94 -32.43 69.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.463 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 12.4 mtp -74.92 -25.75 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -32.19 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.21 -24.03 43.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -86.75 -40.51 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -63.88 -19.94 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.37 -53.98 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -66.55 -179.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -91.51 47.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.43 126.55 38.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -99.9 9.43 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -56.65 151.12 32.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HB2' ' CD ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.77 163.89 36.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' HE1' ' A' ' 25' ' ' MET . 19.6 tt0 -61.65 -47.83 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 36' ' ' PRO . 7.3 pm0 -51.9 -38.58 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.06 -58.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -68.51 -65.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -39.31 -49.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 39' ' ' LYS . 50.2 t -54.62 -58.39 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.63 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.1 m -70.34 -25.54 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 92' ' ' PRO . 20.1 mmtt -80.44 -38.22 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -48.24 -55.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' CG1' ' A' ' 16' ' ' VAL . 1.4 mp0 -65.09 -58.38 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLU . 37.3 tttp -34.6 -37.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' GLU . 6.7 tp10 -91.5 -44.61 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.705 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.4 tp -54.74 -59.11 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.67 -34.22 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -77.92 -18.75 55.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -93.57 -32.52 14.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.6 -15.01 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 43.83 29.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -172.6 155.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.3 p -110.89 46.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.39 -174.93 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.24 -45.17 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -33.77 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.705 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.7 t80 -68.41 -61.87 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -48.01 76.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' A' ' 51' ' ' LEU . 4.3 tppp? -80.12 -48.04 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.13 -50.52 64.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.96 -35.02 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 12.8 t -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.88 -43.75 82.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.881 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.8 ptm -81.44 -14.03 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.0 -35.18 69.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.91 -11.32 59.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 70' ' ' MET . 19.1 mt -89.26 -42.15 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -19.67 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.21 130.51 91.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.99 25.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -5.17 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -130.32 77.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -103.03 51.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -134.98 -51.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.3 tp -47.02 -61.05 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -38.53 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LEU . 36.5 ttmt -92.55 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HE3' HD12 ' A' ' 81' ' ' LEU . 54.2 mtmt -34.23 -42.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.1 t -67.29 -60.47 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.4 mp -51.55 -52.63 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.72 -43.58 80.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 136.5 -29.72 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 6.0 mm-40 -35.43 -46.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' LYS . 84.2 t -117.58 150.35 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.08 159.75 28.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 46' ' ' LYS . 53.6 Cg_endo -69.76 -21.93 32.82 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -82.95 -57.66 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.58 -29.19 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -47.73 -20.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.07 -47.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -62.03 -19.04 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -61.33 161.58 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 156.42 58.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -5.55 16.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.84 -24.63 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.82 -46.82 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -53.42 -45.28 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 9' ' ' ALA . 53.0 mt -57.3 -54.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 52' ' ' PHE . 74.6 mtm180 -57.11 -55.35 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 14' ' ' GLN . 7.4 tm0? -39.95 -50.3 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -55.28 -47.99 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.741 HG11 ' CD ' ' A' ' 48' ' ' GLU . 58.8 t -48.92 -45.02 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -53.81 -66.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -44.8 -59.74 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -41.52 -49.97 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.8 -57.01 14.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.6 ttpt -54.31 -28.81 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.71 -44.95 92.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.03 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 86' ' ' LEU . 57.1 mt -51.76 -17.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 2.8 mmt -78.9 -55.71 4.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -21.71 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.95 -39.69 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -78.59 -41.32 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.9 t -58.72 -32.07 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.16 -53.61 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -60.23 -178.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.34 49.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -106.85 122.53 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -100.86 30.36 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.36 147.19 95.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.15 46.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -42.94 -37.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.88 -46.2 82.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.0 -62.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.31 -50.04 63.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.99 -69.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -37.47 -48.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 39' ' ' LYS . 51.2 t -54.89 -58.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.89 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -60.01 -30.37 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.9 mttt -85.82 -39.27 17.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 HD23 ' A' ' 95' ' ' LEU . 47.1 mm -36.59 -55.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.741 ' CD ' HG11 ' A' ' 16' ' ' VAL . 28.1 mm-40 -76.53 -34.41 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -49.92 -40.99 45.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -85.32 -43.45 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.8 tp -55.72 -60.93 2.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 20.4 t80 -42.15 -43.35 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -71.41 -64.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -39.39 -52.94 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.54 -48.49 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 74.7 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -171.54 159.3 5.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -119.66 47.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.4 m-20 -97.1 177.61 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.27 -65.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' TYR . 20.7 mtmm -37.4 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' HD23 ' A' ' 51' ' ' LEU . 55.8 t80 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.64 -49.31 71.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -41.62 -48.02 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 51' ' ' LEU . 12.2 tppt? -64.08 -50.24 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.686 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -56.09 -65.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 68' ' ' SER . 9.3 ptm180 -47.64 -37.37 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 16.9 m -69.12 -40.93 78.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 96' ' ' ILE . 9.6 mt -60.59 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.56 ' HA ' HD12 ' A' ' 73' ' ' LEU . 26.4 ptm -72.94 -30.18 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.04 -39.03 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -80.52 -25.62 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 70' ' ' MET . 87.6 mt -71.45 -43.8 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -73.45 -20.27 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.61 127.83 88.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.723 . . . . 0.0 110.896 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -33.36 16.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -54.66 -32.08 58.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -110.36 79.82 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.3 p30 -98.91 47.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.4 mt -128.14 -46.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.2 tp -47.21 -67.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -40.11 -34.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -76.75 -46.0 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HE3' HD12 ' A' ' 81' ' ' LEU . 56.6 mtmt -59.15 -36.92 76.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.75 -58.62 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 11.0 mp -56.15 -45.78 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -63.24 -44.87 94.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.68 -27.52 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -39.49 -34.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.2 t -124.23 147.65 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 152.25 38.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.709 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 2.8 p30 -95.77 -37.06 10.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' ILE . 30.8 t60 -80.81 -33.75 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 47' ' ' ILE . 19.6 tp -41.76 -25.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.689 ' HA ' HD11 ' A' ' 69' ' ' LEU . 8.2 mt -72.74 -70.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -39.72 -33.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.9 mtp -55.74 125.88 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -71.88 160.08 83.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.676 0.75 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.56 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -95.81 -25.78 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.58 -43.97 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.703 HD22 HD21 ' A' ' 81' ' ' LEU . 73.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.771 0.32 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -58.46 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -53.28 -55.13 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.5 -64.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 13.1 mtp-105 -50.02 -46.82 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -55.48 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 t -48.86 -41.54 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 66' ' ' TYR . 97.0 t -53.29 -48.19 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -56.25 -71.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -46.33 -59.37 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 20.9 m -37.92 -59.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' OE2' ' A' ' 48' ' ' GLU . 47.2 mt -54.33 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.1 ttpt -47.11 -28.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.52 -52.24 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 55.4 mt -64.22 -54.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.4 mt -60.0 -17.18 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.6 mmt -81.57 -33.31 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -93.72 -19.29 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 78' ' ' ASN . 19.3 mmm180 -86.34 -20.98 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.62 -33.18 15.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 26' ' ' LYS . 9.4 t -69.44 -33.37 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.78 -38.51 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 m -80.76 168.68 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -79.38 49.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' HE2' ' A' ' 83' ' ' LYS . 23.2 mt -102.77 128.93 49.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -108.41 29.35 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -72.5 147.15 89.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.39 57.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -47.17 -34.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -44.34 91.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -68.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.21 -56.04 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -50.53 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' ALA . 29.4 mtpt -36.04 -51.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -53.82 -55.58 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.55 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -49.99 -30.02 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -77.91 -44.85 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.535 HD12 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -41.8 -56.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HG3' HG11 ' A' ' 16' ' ' VAL . 11.5 mp0 -69.75 -53.43 18.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 35.3 tttt -35.26 -39.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -89.68 -37.49 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' CE2' ' A' ' 62' ' ' TYR . 5.8 tp -62.2 -58.82 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -50.86 -40.45 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 t -72.36 -39.27 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.91 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -75.34 -33.21 61.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 9.4 ttm105 66.58 29.35 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 7.6 m-20 -174.74 164.04 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.1 p -113.27 48.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.25 -177.44 6.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.65 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -76.21 -65.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.742 ' CE2' HD23 ' A' ' 51' ' ' LEU . 5.4 t80 -41.93 -44.05 3.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -70.63 -45.45 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -52.99 -36.33 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' CG ' HD11 ' A' ' 51' ' ' LEU . 14.9 tppt? -70.84 -51.11 28.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.494 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -52.75 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -51.59 -29.4 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -80.88 -25.79 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.37 -35.9 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.448 ' CE ' ' CD1' ' A' ' 23' ' ' ILE . 2.2 ppp? -89.38 -19.97 24.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -58.43 -32.08 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -78.85 -53.09 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -42.07 -55.6 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 21.5 ptmt -58.51 -38.61 78.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -39.09 125.94 1.27 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.559 0.695 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -22.22 32.58 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -77.43 -32.96 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 2.6 m120 -94.09 89.35 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 26.3 p30 -106.7 36.24 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' HG3' ' A' ' 84' ' ' LYS . 9.7 mt -128.51 -54.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -39.39 -63.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.739 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -39.4 -46.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' HD21 ' A' ' 33' ' ' LEU . 7.4 tttt -69.86 -68.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' A' ' 80' ' ' ILE . 31.4 mtmt -34.33 -38.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.26 -51.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.8 mp -61.37 -51.53 68.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -58.37 -40.3 81.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.45 -24.63 3.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.48 -40.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 t -122.28 126.93 74.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 p -81.42 152.39 70.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -20.9 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.01 -34.68 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 47' ' ' ILE . 18.1 tp -42.72 -27.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.518 ' CG2' HD12 ' A' ' 51' ' ' LEU . 16.7 mt -79.46 -50.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -56.21 -26.54 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.1 mmm -57.53 146.79 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 p -81.44 155.9 71.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.43 3.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.34 -37.2 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -73.97 -34.95 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.83 0.347 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.84 -53.44 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.72 -45.16 82.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 9' ' ' ALA . 84.2 mt -55.89 -64.68 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 21.4 mtm105 -48.01 -45.55 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.08 -53.85 52.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -49.43 -44.77 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.696 HG13 ' CE1' ' A' ' 66' ' ' TYR . 98.3 t -47.34 -44.55 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -55.23 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.5 -52.58 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -49.79 -58.02 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.3 -55.68 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 35.5 ttpt -53.97 -40.22 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.04 -52.47 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 59.3 mt -62.35 -57.41 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 86' ' ' LEU . 43.6 mt -55.02 -21.65 12.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mmt -76.41 -39.58 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.91 -22.78 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 79' ' ' ASN . 24.2 mmm180 -83.23 -22.99 32.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.16 -36.9 13.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.4 t -69.14 -31.45 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -78.45 -57.08 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -53.76 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -89.32 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -105.4 157.1 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 12.8 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.99 147.56 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.85 32.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 -22.88 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.32 -25.48 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -68.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.08 -58.94 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.469 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -50.74 -51.08 53.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -53.55 -44.64 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.65 -58.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.01 -47.0 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -58.96 -21.17 57.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -91.7 -15.94 27.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.93 -53.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -63.87 -57.4 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' GLU . 15.2 tp10 -96.34 -41.18 8.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.592 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.3 tp -64.3 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.46 -24.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -84.61 -50.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -56.73 -29.39 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.68 -33.1 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 24.3 mtt-85 56.05 31.91 18.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 13.4 m-20 -171.92 154.91 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.6 p -101.62 29.77 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.36 169.66 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.32 -38.6 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -60.16 -31.66 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -72.54 -57.4 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.98 -42.69 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.83 -48.03 41.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.29 -44.09 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.696 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.7 t80 -57.11 -55.98 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -63.37 -23.99 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -79.42 -39.22 32.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -49.0 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 15.6 ptm -70.16 -27.28 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -49.38 -45.21 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -72.9 -22.7 60.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' MET . 89.2 mt -73.66 -53.96 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 31.1 pttt -69.29 -3.84 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.28 121.87 84.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.45 37.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -83.59 -43.72 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 52.5 t-20 -87.26 87.29 7.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -101.63 42.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 mt -129.67 -57.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 9.7 tp -34.9 -69.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.2 p90 -42.23 -51.84 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 30.7 ttmt -55.37 -58.04 9.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 42.6 mtmt -49.85 -35.16 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.9 t -70.3 -66.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 24' ' ' LEU . 11.1 mp -49.22 -45.82 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.11 -43.45 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.02 3.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -39.36 -55.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.4 t -98.73 145.8 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.15 149.33 35.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.535 0.684 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.54 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.63 -24.39 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 96' ' ' ILE . 40.7 t-80 -86.96 -36.82 18.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -42.7 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 94' ' ' HIS . 17.5 mt -79.9 -56.3 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 14.5 mtp-105 -57.97 -24.95 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -53.52 152.8 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.0 m -78.79 150.0 74.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.8 -22.93 31.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -84.14 -25.13 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -78.25 -45.19 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 81' ' ' LEU . 33.2 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.19 -46.12 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.41 -47.73 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.08 -61.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -49.65 -48.54 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -54.48 21.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -52.64 -47.57 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' CD ' ' A' ' 48' ' ' GLU . 91.2 t -47.57 -50.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -57.46 -66.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -43.23 -54.38 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 m -47.9 -57.91 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.2 mt -49.16 -47.55 45.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.7 ttpt -62.35 -31.86 72.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.54 -54.83 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 14.8 mt -58.19 -60.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -54.05 -28.45 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.461 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 mmt -68.05 -32.36 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.59 -31.58 15.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.8 mmm180 -72.0 -33.5 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -80.66 -39.29 27.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 t -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.5 -46.28 12.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -72.94 -179.37 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -95.17 48.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.717 ' HB3' HG13 ' A' ' 35' ' ' VAL . 13.1 mt -88.45 -47.7 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp 55.07 28.52 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.717 HG13 ' HB3' ' A' ' 33' ' ' LEU . 9.2 m -80.61 149.07 67.33 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.32 47.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.23 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -40.63 -44.05 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.87 -58.07 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HE2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.96 -67.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.65 -58.51 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -48.44 -67.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' ALA . 6.6 mtpm? -34.31 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CG2' ' HE2' ' A' ' 39' ' ' LYS . 96.0 t -53.6 -59.11 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.77 -56.92 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -50.86 -31.91 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.2 mmtp -76.46 -45.59 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.0 mm -37.49 -61.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.513 ' CD ' HG12 ' A' ' 16' ' ' VAL . 1.6 mp0 -63.32 -52.22 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 39.7 tttm -36.22 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -94.97 -39.04 10.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.2 tp -60.59 -58.89 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ARG . 26.5 t80 -47.43 -43.74 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -67.89 -55.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.796 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -41.37 -38.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.83 -13.36 16.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 25.2 mtt180 45.94 32.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -174.82 167.68 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 45.0 p -119.71 60.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -100.7 178.91 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.92 -54.17 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' ASN . 19.6 mtmm -50.4 -65.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 51' ' ' LEU . 29.1 t80 -40.32 -49.2 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -67.08 -36.08 81.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' LYS . 21.5 t-20 -60.95 -37.05 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.3 tppm? -71.47 -45.52 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 1.6 t80 -58.02 -60.52 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -25.3 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -78.69 -53.29 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 95' ' ' LEU . 14.0 mt -50.07 -42.1 49.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.5 ptm -82.61 -18.17 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -52.42 -45.32 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.04 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' MET . 73.4 mt -84.78 -46.06 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -78.09 -3.51 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.81 121.88 84.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.99 8.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -17.53 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -118.05 88.14 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.65 57.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' ' 84' ' ' LYS . 11.0 mt -132.06 -58.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 103' ' ' LEU . 11.7 tp -42.65 -68.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.72 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -38.54 -33.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -80.67 -44.03 19.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' ' 80' ' ' ILE . 50.1 mtmt -61.74 -34.56 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.66 -48.46 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -64.99 -50.85 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.07 -43.87 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.35 -22.99 3.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.6 t -117.13 124.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 150.79 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -16.4 37.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.11 -15.84 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -101.12 -31.56 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' A' ' 69' ' ' LEU . 11.4 tp -48.45 -28.93 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -71.65 -53.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -52.72 -24.57 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 40.5 mtp -59.27 154.39 16.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 1.8 m -91.16 160.4 37.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.92 -45.99 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 99' ' ' SER . 1.7 mp0 -57.36 -46.31 83.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 81' ' ' LEU . 86.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.53 -25.11 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.76 -51.79 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.8 mt -52.22 -49.41 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -66.0 -54.16 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -48.69 -52.6 22.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.28 -47.74 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.755 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.0 t -45.78 -54.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' CZ ' HG23 ' A' ' 45' ' ' THR . 53.8 mtt180 -43.39 -62.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.23 -58.37 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.48 -64.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.2 -47.3 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 31.4 ttpt -65.56 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.36 -48.7 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.37 -63.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 86' ' ' LEU . 18.7 mt -50.23 -23.69 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.565 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.9 mmt -70.05 -38.74 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -86.01 -27.04 25.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -25.09 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.78 -32.86 14.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.489 HG22 ' HA ' ' A' ' 26' ' ' LYS . 1.5 t -78.76 -16.39 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -93.05 -42.38 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.3 p -74.63 179.33 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -82.92 41.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.7 mt -102.01 126.96 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -108.74 33.97 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m -77.36 147.45 75.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.28 50.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 2.3 tm-20 -42.21 -44.23 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -44.06 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -69.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.45 -56.66 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -48.72 -67.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 54.5 mttt -38.44 -54.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.6 -55.44 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.53 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 17' ' ' ARG . 10.4 m -46.78 -30.52 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 3.7 mptt -78.34 -50.6 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' LYS . 22.8 mm -36.68 -55.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' LYS . 1.4 mp0 -66.35 -54.94 18.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' GLU . 33.9 tttp -36.08 -43.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.1 -54.27 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.965 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.9 tp -44.01 -61.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -43.72 -46.73 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -64.82 -59.43 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -39.5 -69.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.38 -42.41 87.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 68.76 30.62 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -168.49 150.25 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 p -104.74 58.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -108.72 -178.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.77 -58.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.5 mtmp? -42.39 -64.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.965 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.1 t80 -34.46 -57.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ASN . 62.8 mttt -61.61 -53.3 58.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 5.2 t-20 -36.31 -44.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.2 tppm? -69.86 -59.92 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.755 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.3 t80 -42.58 -55.36 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 68' ' ' SER . 11.1 ptm180 -56.2 -35.2 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.6 t -68.93 -48.15 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD22 ' HG ' ' A' ' 95' ' ' LEU . 77.2 mt -49.8 -53.9 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.643 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.8 ptm -71.28 -30.46 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -39.09 -51.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.7 -44.65 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -49.95 -46.25 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ASP . 9.3 ptmm? -75.53 -38.35 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.6 t0 -35.0 116.42 0.54 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.624 0.726 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.88 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -95.55 -29.35 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -104.26 107.9 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -122.21 49.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.688 HG22 ' HE2' ' A' ' 84' ' ' LYS . 23.5 mt -127.02 -44.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.6 tp -49.67 -69.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 86' ' ' LEU . 4.1 p90 -39.12 -39.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -69.68 -52.02 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.688 ' HE2' HG22 ' A' ' 80' ' ' ILE . 55.9 mtmt -56.71 -38.4 72.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -69.7 -58.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.614 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.5 mp -54.72 -53.31 56.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -56.24 -46.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 135.72 -26.19 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' GLY . 9.5 mm-40 -37.07 -46.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.94 137.11 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.6 p -89.89 147.29 37.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.61 16.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.19 -31.29 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -84.72 -30.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.2 tp -45.55 -35.09 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.1 mt -73.03 -48.62 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -55.4 -29.68 58.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.07 172.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -105.69 152.52 40.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -9.89 27.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -98.19 -27.01 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.07 -36.88 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 100' ' ' PRO . 16.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -43.02 -49.56 6.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.99 -41.65 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 9' ' ' ALA . 65.7 mt -59.49 -56.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -51.6 -52.95 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -49.6 -51.28 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -51.69 -48.5 63.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 66' ' ' TYR . 90.5 t -44.64 -49.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.68 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -56.89 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -44.2 -57.35 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.8 mt -50.61 -61.41 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -52.65 -33.33 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.76 -47.17 86.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -69.14 -50.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.9 mt -64.52 -18.36 64.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 7.0 mmt -77.07 -44.73 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -83.32 -21.96 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -78.79 -26.1 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 29' ' ' THR . 1.8 pp -89.64 -42.24 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.706 ' N ' HD12 ' A' ' 28' ' ' LEU . 14.4 t -60.63 -35.42 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.33 -43.51 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -79.6 175.79 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -84.1 61.4 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.4 108.6 17.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -85.79 21.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.0 149.97 90.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.96 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -66.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.85 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.89 -67.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -39.64 -56.8 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 85' ' ' VAL . 78.7 t -50.02 -54.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -53.09 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -47.85 -32.26 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 1.3 mptp? -77.38 -52.13 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.9 mm -36.78 -56.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.08 -32.26 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 22.3 tttp -60.76 -38.51 85.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.94 -42.35 12.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.5 tp -52.94 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -54.75 -45.28 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 m -64.56 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.76 -55.32 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 71.5 m-85 -76.65 -18.9 58.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.7 mtt180 52.84 28.54 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.2 m-20 -175.02 171.4 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 63.5 p -110.74 27.94 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.81 -175.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.24 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -66.56 -29.61 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.435 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 24.9 t80 -72.02 -49.01 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -70.62 -45.75 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -45.97 -39.0 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HD2' HD21 ' A' ' 69' ' ' LEU . 1.1 tppm? -73.52 -42.68 61.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.673 ' CD1' HG13 ' A' ' 16' ' ' VAL . 2.3 t80 -59.71 -51.56 69.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 6.2 ppt_? -66.08 -10.48 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -92.66 -53.93 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.5 mt -48.45 -36.73 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.772 ' HA ' HD12 ' A' ' 73' ' ' LEU . 17.9 ptm -88.99 -18.48 27.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.33 -32.13 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.78 -29.71 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 70' ' ' MET . 51.2 mt -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -87.77 -3.69 58.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -81.07 126.65 76.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.816 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.36 37.36 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.55 -40.47 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 12.2 t-20 -107.49 84.98 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -96.94 44.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.654 HG22 ' CG ' ' A' ' 84' ' ' LYS . 2.9 mt -127.27 -55.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' LYS . 8.7 tp -32.17 -69.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.1 p90 -36.89 -40.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ILE . 32.4 tttm -77.79 -38.65 46.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.654 ' CG ' HG22 ' A' ' 80' ' ' ILE . 14.6 mtpp -60.55 -36.92 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 43' ' ' VAL . 40.1 t -76.08 -47.38 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.656 ' CD1' HD22 ' A' ' 24' ' ' LEU . 6.8 mp -61.89 -48.88 78.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -62.64 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.3 -6.84 5.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.2 mm-40 -54.75 -55.69 27.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -100.6 122.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.36 146.04 88.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.02 19.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -106.19 -18.99 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -92.91 -35.09 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -44.48 -24.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.68 -38.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -75.34 -15.66 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 37.8 mmm -68.53 149.03 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 p -84.37 158.71 60.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.672 0.749 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.1 Cg_endo -69.75 -7.33 20.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -101.16 -20.34 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -90.75 -28.21 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 100' ' ' PRO . 41.3 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.14 -35.78 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.2 -39.01 93.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.67 -69.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' NH1' ' CE2' ' A' ' 52' ' ' PHE . 8.7 ptt180 -47.38 -37.43 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.3 -42.28 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 t -65.99 -40.55 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -46.22 -44.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -47.38 -65.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.32 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -40.04 -57.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.05 -54.31 31.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -50.87 -38.71 51.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.27 -50.2 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.1 mt -66.71 -54.25 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 28' ' ' LEU . 55.5 mt -61.29 -12.79 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.21 -43.67 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.29 -22.78 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 13.9 mmm180 -80.27 -28.17 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -86.77 -37.06 18.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -72.44 -22.91 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -92.15 -43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -67.04 -178.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -85.61 31.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -94.04 147.29 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -125.94 13.19 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.29 147.78 86.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.595 0.712 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.21 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.97 -36.17 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -50.87 -54.64 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.68 -53.41 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.79 -56.71 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.38 -65.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 32.6 mttm -35.47 -59.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.958 HG11 ' CG1' ' A' ' 85' ' ' VAL . 90.4 t -52.84 -52.43 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.82 66.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -63.9 -30.61 71.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -73.98 -41.48 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.7 mm -40.83 -61.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -63.4 -45.68 89.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -44.31 -38.45 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.52 -43.22 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 62' ' ' TYR . 7.6 tp -58.38 -61.95 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' NH1' ' A' ' 13' ' ' ARG . 71.5 t80 -52.09 -26.34 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -82.16 -28.4 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 6.0 t80 -80.87 -50.8 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.82 -17.0 56.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 49.39 31.5 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -173.94 158.0 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 p -116.15 39.98 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -89.18 -175.21 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.84 -63.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' TYR . 16.7 mttm -40.31 -63.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.4 t80 -36.72 -58.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASN . 50.4 mttt -59.22 -51.49 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LYS . 50.1 t30 -35.74 -43.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' CG ' HD11 ' A' ' 51' ' ' LEU . 13.9 tppt? -71.22 -52.92 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.03 -59.22 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 3.9 ptm85 -50.26 -27.06 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -81.45 -28.39 34.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD22 HD23 ' A' ' 95' ' ' LEU . 84.1 mt -80.36 -39.29 28.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.667 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ppp? -86.39 -17.48 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 2.7 t80 -65.31 -43.43 91.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -75.11 -26.67 59.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 70' ' ' MET . 65.9 mt -58.84 -43.96 90.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' CE ' ' SD ' ' A' ' 70' ' ' MET . 12.3 ptpt -79.81 -27.53 40.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 m-20 -52.82 131.9 47.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.492 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 54.3 Cg_endo -69.69 -31.08 21.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.24 -23.64 66.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -112.68 90.95 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -111.42 41.58 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -125.21 -60.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 103' ' ' LEU . 10.0 tp -41.26 -62.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 27' ' ' ARG . 2.5 p90 -40.44 -32.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' LYS . 28.5 ttmt -86.25 -64.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HB3' HG23 ' A' ' 90' ' ' VAL . 28.5 mmtt -34.37 -38.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.958 ' CG1' HG11 ' A' ' 43' ' ' VAL . 76.8 t -67.37 -51.19 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.1 mp -65.74 -51.18 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -56.58 -42.8 79.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.88 10.91 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LYS . 68.4 mm-40 -80.11 -45.25 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 84' ' ' LYS . 21.4 t -104.91 121.47 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.29 155.12 82.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -39.58 6.22 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.58 -29.91 69.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 97' ' ' ARG . 14.9 t60 -81.44 -40.47 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 HD22 ' A' ' 69' ' ' LEU . 2.1 tt -39.77 -26.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.513 HG21 HD12 ' A' ' 51' ' ' LEU . 10.0 mt -83.64 -41.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' HIS . 76.0 mtp180 -66.66 -26.54 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.1 mtp -55.36 158.2 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -87.3 156.61 54.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.76 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -109.66 -27.36 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -78.83 -36.61 42.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.352 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -36.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -74.13 -36.89 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.8 mm -45.6 -50.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.53 -53.98 23.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -43.86 -47.55 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -51.79 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.2 t -45.64 -49.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' HIS . 43.9 mtm180 -48.84 -70.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -37.21 -58.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -44.98 -64.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.95 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.2 ttpt -50.48 -35.73 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.28 -46.64 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.2 mt -71.01 -55.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 mt -61.19 -9.45 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.7 mmt -82.12 -40.78 21.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -20.16 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -81.31 -32.78 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -79.26 -40.07 31.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.7 t -69.94 -22.26 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -81.04 -37.29 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -85.05 -177.51 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -94.36 30.13 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 35' ' ' VAL . 11.3 mt -70.84 -38.04 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttm 47.65 38.59 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 33' ' ' LEU . 6.4 m -89.34 148.75 41.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.15 47.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -41.19 -36.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -49.6 -58.44 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' NZ ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -38.47 -66.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.92 -57.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.93 -64.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.4 mtmt -33.8 -52.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.69 -59.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.08 -37.89 35.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.9 m -59.27 -36.83 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -37.24 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -41.23 -57.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.726 ' CD ' HG11 ' A' ' 16' ' ' VAL . 4.7 mm-40 -72.48 -26.89 61.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -57.99 -40.85 81.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -89.62 -37.62 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.7 tp -57.04 -48.79 77.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.34 -24.74 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.8 t -85.17 -21.97 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -82.4 -49.74 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -85.5 -30.05 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 63.99 30.54 14.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.44 163.97 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -112.42 50.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -95.85 -175.7 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.09 57.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -67.91 -21.61 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.4 t80 -82.26 -50.56 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -71.45 -51.65 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -38.61 -41.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -72.78 -43.62 62.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.4 t80 -53.39 -52.64 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 2.6 ptm85 -64.77 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -65.69 -36.92 85.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 96' ' ' ILE . 43.5 mt -80.8 -39.31 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.45 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.4 ppp? -78.3 -13.58 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.31 -44.04 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -68.56 -20.44 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 70' ' ' MET . 62.2 mt -70.69 -46.93 62.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -73.79 -29.64 62.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.2 129.94 12.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.88 23.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -10.31 59.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -124.81 92.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -111.07 2.57 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 ' HE2' ' A' ' 84' ' ' LYS . 57.9 mt -95.24 -33.98 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.866 HD21 HD22 ' A' ' 103' ' ' LEU . 8.2 tp -57.56 -59.58 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -49.04 -34.76 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 31.1 mttt -73.57 -68.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.469 ' HE2' HG22 ' A' ' 80' ' ' ILE . 41.3 mtmt -34.26 -40.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.4 -53.17 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.3 mp -61.01 -52.42 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -57.54 -35.86 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 125.69 -28.99 4.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 19.8 mm-40 -34.94 -43.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -117.2 112.17 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -68.1 149.95 97.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.569 0.699 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.98 35.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -100.68 -4.05 29.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -110.35 -32.05 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.35 -24.84 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.8 mt -80.21 -42.6 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.16 -19.23 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 mtm -75.91 134.48 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 156.4 38.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -19.11 36.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -89.18 -16.2 31.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.78 -16.94 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.866 HD22 HD21 ' A' ' 81' ' ' LEU . 71.0 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.0 -54.83 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -55.7 -52.98 62.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.22 -57.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -56.63 -49.88 73.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -44.31 -54.39 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -53.33 -42.3 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.8 t -54.96 -55.56 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -52.54 -63.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -47.16 -61.09 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -43.63 -59.25 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD12 ' OE2' ' A' ' 48' ' ' GLU . 37.6 mt -46.53 -54.68 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -58.75 -36.41 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -55.17 -45.92 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.47 HD11 ' HE2' ' A' ' 70' ' ' MET . 55.8 mt -67.22 -62.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 86' ' ' LEU . 31.8 mt -48.86 -22.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 mmt -75.24 -45.18 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -12.4 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 15.6 mmm180 -94.22 -39.64 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.687 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.2 pp -77.62 -40.77 40.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.6 t -68.63 -18.84 64.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.46 -30.19 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m -90.15 -177.56 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -81.4 46.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD13 HD22 ' A' ' 86' ' ' LEU . 6.2 mt -105.85 -65.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 57.29 31.54 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 28' ' ' LEU . 21.7 m -75.59 151.42 84.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -38.07 -37.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -50.29 -48.02 55.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.17 -60.82 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.51 -58.11 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -51.92 -66.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.2 mtpm? -34.08 -56.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.912 HG11 ' CG1' ' A' ' 85' ' ' VAL . 89.9 t -55.09 -56.4 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.1 -48.09 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.3 m -55.38 -33.75 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -43.69 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -37.95 -58.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.678 ' OE2' HD12 ' A' ' 20' ' ' LEU . 15.9 mp0 -65.25 -38.58 90.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -49.31 -36.08 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' OE1' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -86.89 -49.56 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.718 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -51.62 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -42.4 -37.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -81.15 -27.46 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 51' ' ' LEU . 49.1 t80 -69.75 -45.71 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -93.98 -27.13 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 61.51 35.18 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -174.89 152.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 p -111.15 56.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -111.6 -179.5 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.29 -54.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -48.35 -43.27 33.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.718 ' CE1' HD23 ' A' ' 51' ' ' LEU . 46.4 t80 -56.96 -67.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . 23.8 mttt -51.95 -53.9 35.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . 21.9 t30 -34.44 -45.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -75.81 -53.81 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.424 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -43.11 -49.73 6.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 12.1 ptt180 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.2 t -64.46 -35.5 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 51' ' ' LEU . 45.1 mt -58.4 -48.59 80.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' LEU . 10.6 ptm -83.51 -26.67 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -43.67 -36.5 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -91.77 -27.53 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' MET . 91.0 mt -66.34 -43.31 86.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -28.69 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.45 141.29 93.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.8 Cg_endo -69.8 -50.44 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' HD3' ' ND2' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -38.51 -28.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.477 ' ND2' ' HD3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -116.94 86.41 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 18.3 p30 -105.56 36.49 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 84' ' ' LYS . 10.1 mm -130.82 -56.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.555 HD21 HD22 ' A' ' 103' ' ' LEU . 12.6 tp -33.5 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.76 ' O ' HD13 ' A' ' 86' ' ' LEU . 10.3 p90 -44.48 -41.1 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HG3' HD11 ' A' ' 33' ' ' LEU . 22.1 ttmt -68.48 -57.7 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 80' ' ' ILE . 4.5 mmpt? -35.86 -53.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.912 ' CG1' HG11 ' A' ' 43' ' ' VAL . 37.5 t -56.78 -44.15 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 33' ' ' LEU . 10.5 mp -65.37 -56.12 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -55.72 -52.3 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.81 27.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -99.71 -48.24 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.66 116.73 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.2 p -66.81 146.87 99.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.709 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.31 37.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.46 -39.53 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ARG . 21.6 t60 -71.91 -39.12 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.451 HD12 HG21 ' A' ' 85' ' ' VAL . 2.5 tt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.457 HD12 ' OE1' ' A' ' 50' ' ' GLU . 20.2 mt -74.83 -46.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' HIS . 62.9 mtp180 -79.48 -8.11 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 mtp -57.41 133.67 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -64.53 161.32 44.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -9.34 25.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -102.09 -23.63 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.72 -42.1 29.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 81' ' ' LEU . 80.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.3 t0 -34.94 -42.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.91 -52.69 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.2 -50.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -60.35 -41.69 94.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -54.24 -53.65 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.8 m -54.56 -43.93 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.598 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.2 t -47.49 -43.39 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtt85 -57.9 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -46.57 -50.9 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -50.54 -54.58 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.06 -51.32 69.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.8 ttpt -60.76 -30.38 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.39 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.34 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -51.42 -17.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.8 mmt -78.45 -53.89 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.64 -17.17 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -85.96 -32.86 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -83.08 -41.83 18.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -58.7 -36.78 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.17 -7.23 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LEU . 24.2 m -103.11 31.8 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 39.34 26.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.5 mt -74.72 113.47 12.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -86.66 38.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.75 149.35 40.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.72 51.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -47.81 -35.15 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -56.34 -42.41 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.87 -55.8 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -46.88 -67.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 47.2 mttt -37.36 -55.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.71 -52.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.56 69.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.3 m -50.45 -25.59 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 23.2 mttt -85.41 -45.38 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LYS . 32.9 mm -37.45 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.0 -55.55 21.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . 62.5 tttm -36.79 -35.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.82 -37.44 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD23 ' CE1' ' A' ' 62' ' ' TYR . 3.0 tp -64.45 -59.31 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ARG . 33.9 t80 -50.82 -43.92 59.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -66.14 -51.63 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -45.63 -65.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -71.98 -43.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 16.6 ttt180 72.12 30.55 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -171.12 148.73 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.4 p -99.81 57.55 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -103.14 -178.73 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.64 -46.32 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -52.83 -59.57 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.831 ' CE1' HD23 ' A' ' 51' ' ' LEU . 79.4 t80 -49.61 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -44.82 -47.8 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.15 -50.04 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 51' ' ' LEU . 17.1 tppt? -60.03 -36.43 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -65.69 -61.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -12.1 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -88.12 -38.44 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 16.5 mt -64.36 -50.64 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.0 ptm -71.43 -33.86 69.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -42.43 -40.92 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -82.98 -32.28 27.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 70' ' ' MET . 34.5 mt -57.69 -49.68 75.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -68.03 -29.25 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.0 t0 -36.87 119.7 0.78 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.84 28.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.286 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -8.09 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -115.37 90.52 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.25 47.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.529 HG22 ' HG3' ' A' ' 84' ' ' LYS . 24.4 mt -132.2 -58.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.594 HD12 ' NZ ' ' A' ' 84' ' ' LYS . 6.5 tp -34.6 -68.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' O ' HD13 ' A' ' 86' ' ' LEU . 9.6 p90 -41.77 -44.3 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 23.3 ttmt -65.24 -46.69 79.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.594 ' NZ ' HD12 ' A' ' 81' ' ' LEU . 9.1 mtmp? -59.74 -41.09 90.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.0 -56.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 24' ' ' LEU . 7.6 mp -56.56 -51.41 68.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -57.47 -50.43 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.46 -18.49 2.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.08 -34.2 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.37 149.69 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.18 153.07 38.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -13.26 34.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -91.59 -45.38 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -70.81 -33.07 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.0 tp -43.21 -31.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.9 mt -72.49 -49.74 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -56.52 -29.54 61.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 47.0 mmm -52.4 152.18 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -81.69 152.56 69.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.35 -17.23 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.08 -45.27 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.753 0.311 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 -43.33 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.44 -51.1 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -50.6 -59.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -53.52 -50.18 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -50.91 -52.31 43.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -50.95 -46.11 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.732 HG13 ' CD1' ' A' ' 66' ' ' TYR . 95.1 t -45.94 -49.07 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 24.3 mtm180 -52.61 -68.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' SER . 56.0 t-80 -53.21 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.449 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 2.2 m -36.48 -52.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.93 -59.43 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 41' ' ' ALA . 9.8 ttmt -47.57 -50.28 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.5 t0 -34.39 -53.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 45.5 mt -63.74 -61.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 86' ' ' LEU . 56.2 mt -54.09 -17.13 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 4.9 mmt -79.7 -43.95 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.03 -19.37 34.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -84.25 -39.14 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -75.12 -32.23 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.5 t -77.76 -18.1 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 -41.15 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -71.61 179.79 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.98 38.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 83' ' ' LYS . 24.2 mt -106.71 125.33 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 50.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 28' ' ' LEU . 4.5 m -92.06 147.52 34.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 168.84 20.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -68.78 -25.33 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.36 -35.04 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -47.39 -69.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -54.2 -61.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . . . -35.56 -49.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 32.4 mttm -59.47 -52.2 66.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 39' ' ' LYS . 40.9 t -52.66 -58.58 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' ARG . . . -49.98 -48.69 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -56.97 -34.99 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 50' ' ' GLU . 3.1 mptp? -70.14 -50.51 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.574 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.1 mm -45.23 -51.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.09 -22.64 64.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -73.85 -49.22 26.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 46' ' ' LYS . 2.0 pm0 -78.16 -50.73 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.723 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.0 tp -44.68 -59.93 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.59 -42.58 56.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.9 t -70.57 -29.25 65.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.29 -67.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 76.7 m-85 -78.1 -31.35 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 63.44 32.45 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -174.19 132.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.1 p -75.72 56.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -98.38 176.11 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -29.44 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -31.35 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.723 ' CE1' HD23 ' A' ' 51' ' ' LEU . 9.0 t80 -79.83 -45.2 19.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -40.64 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.98 -35.2 61.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HG3' HD11 ' A' ' 51' ' ' LEU . 13.5 tppt? -76.94 -44.32 31.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.732 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.2 t80 -56.48 -55.06 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -62.04 -30.7 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' PHE . 3.6 m -70.3 -61.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.45 -40.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.63 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ptm -88.42 -24.41 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' SER . 68.2 t80 -47.15 -45.87 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 10.3 m-80 -81.54 -40.91 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 70' ' ' MET . 82.5 mt -51.14 -54.43 25.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -60.33 -11.88 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 t70 -72.57 140.02 81.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.7 -5.47 16.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -95.54 -40.76 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.41 78.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.592 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 34.9 m-80 -96.75 -33.94 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.44 HG22 ' HG3' ' A' ' 84' ' ' LYS . 39.5 mt -78.91 -31.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 103' ' ' LEU . 10.3 tp -53.02 -65.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 79' ' ' ASN . 2.8 p90 -56.23 -50.03 72.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.684 ' HG3' HD11 ' A' ' 33' ' ' LEU . 13.4 ttmt -55.03 -35.44 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 80' ' ' ILE . 28.6 mtmt -70.01 -44.37 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 81' ' ' LEU . 21.4 t -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 24' ' ' LEU . 9.6 mp -74.77 -53.58 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HE3' HD21 ' A' ' 33' ' ' LEU . 16.5 mmtp -56.0 -37.15 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 132.71 -28.25 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.6 mm-40 -34.6 -56.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.03 136.72 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.52 156.0 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HB2' HD13 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.72 -10.59 28.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.43 -37.02 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -84.12 -24.45 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -52.24 -21.68 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.12 -51.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -57.32 -21.4 34.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.4 mtp -49.28 154.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -99.27 156.6 35.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -26.34 27.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.67 -18.32 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -90.75 -41.87 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 81' ' ' LEU . 52.8 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -38.02 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -74.55 -30.79 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.5 mm -49.72 -60.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.78 96.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -49.71 -53.59 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -56.87 -46.32 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 12' ' ' ILE . 46.8 t -50.72 -42.64 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.38 -67.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -45.78 -33.76 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.9 m -67.9 -64.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 52.4 mt -48.17 -47.2 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 20.1 ttpt -56.0 -56.26 22.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.5 t70 -34.74 -60.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 mt -49.7 -63.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -48.95 -33.56 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.431 ' CE ' ' HG3' ' A' ' 37' ' ' GLU . 12.0 mtp -71.3 -67.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -24.57 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.02 -57.25 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -56.13 -39.32 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -63.15 -28.75 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.58 -54.9 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -56.66 -177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -98.64 59.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.74 ' HB3' HG13 ' A' ' 35' ' ' VAL . 17.3 mt -106.63 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.4 32.36 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' LEU . 10.4 m -81.71 148.31 61.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 144.58 54.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.411 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 10.1 tt0 -43.17 -46.62 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -43.4 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.38 -53.27 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.17 62.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.2 mttt -53.42 -54.54 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.66 -57.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.99 -43.92 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -61.61 -31.38 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mptm? -76.63 -44.42 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -37.24 -74.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 mp0 -46.8 -56.71 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 21.7 tttt -34.7 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.5 tp10 -92.5 -51.25 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 62' ' ' TYR . 9.0 tp -50.22 -59.66 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.29 -25.54 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -85.71 -15.31 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -94.76 -38.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -90.1 -38.11 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.8 mtt85 60.91 32.15 20.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -171.07 118.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -80.43 55.35 2.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -106.12 -178.46 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -37.1 -65.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.5 mtpt -36.38 -63.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 51' ' ' LEU . 44.7 t80 -39.09 -51.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -65.15 -45.04 86.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -44.36 -47.77 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.669 ' HD2' HD21 ' A' ' 69' ' ' LEU . 15.6 tppt? -71.2 -54.96 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -44.52 -54.9 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 68' ' ' SER . 7.4 ptm180 -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 39.3 m -76.62 -24.08 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.9 mt -75.31 -42.74 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.883 ' HA ' HD12 ' A' ' 73' ' ' LEU . 11.6 ptm -87.94 -24.71 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 26.2 t80 -54.54 -34.41 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -89.44 -28.83 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 70' ' ' MET . 40.2 mt -62.03 -36.43 81.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 10.8 ptmm? -83.73 -30.09 26.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.8 t0 -36.98 120.28 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.94 29.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -97.15 -18.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 78' ' ' ASN . 7.0 t30 -89.32 -75.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 40.58 41.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.631 HG22 ' CD ' ' A' ' 84' ' ' LYS . 2.4 mm -129.32 -49.5 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 103' ' ' LEU . 8.4 tp -56.72 -52.31 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.512 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -48.32 -41.29 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 15.5 ttmt -76.83 -37.35 55.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.631 ' CD ' HG22 ' A' ' 80' ' ' ILE . 14.1 mtpt -57.47 -53.96 52.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.513 HG21 HD12 ' A' ' 95' ' ' LEU . 25.4 t -59.81 -49.02 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 82' ' ' PHE . 3.9 mp -57.56 -58.17 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -55.93 -31.4 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.97 -23.11 6.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.67 -66.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 91' ' ' THR . 15.9 t -92.59 155.87 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 17.9 p -103.09 150.02 37.46 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.37 25.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 -44.35 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 95' ' ' LEU . 33.6 t60 -70.2 -36.55 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.513 HD12 HG21 ' A' ' 85' ' ' VAL . 4.4 tt -37.21 -40.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.77 -49.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -57.3 -21.89 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.8 mtp -64.47 163.66 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -99.16 159.61 29.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.631 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.5 Cg_endo -69.73 0.86 5.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -107.83 -33.3 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.04 -41.72 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 100' ' ' PRO . 13.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -142.61 147.37 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -115.85 37.23 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.56 -163.91 37.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 p -122.61 40.02 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -92.94 159.64 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.2 150.45 5.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -96.47 121.9 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB1' HH21 ' A' ' 13' ' ' ARG . . . -43.88 -43.71 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.03 -50.98 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -46.74 -61.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.786 ' O ' HG23 ' A' ' 16' ' ' VAL . 79.2 mt -41.02 -53.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 52' ' ' PHE . 31.6 mtt180 -61.33 -47.83 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -51.48 -59.9 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -49.02 -49.66 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 12' ' ' ILE . 95.6 t -43.44 -43.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -54.56 -65.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -52.15 -58.48 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m -39.62 -53.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.08 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -42.0 -36.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.82 -52.19 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mt -61.24 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD22 HD11 ' A' ' 86' ' ' LEU . 30.6 mt -57.66 -12.04 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 2.8 mmt -90.89 -51.22 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -17.52 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -89.08 -56.66 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.752 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -57.66 -41.75 82.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.551 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.0 t -58.3 -29.21 65.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.9 -11.27 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -97.46 23.5 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m120 45.2 26.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.8 mt -71.17 116.74 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -84.44 37.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.25 147.93 38.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.64 35.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG3' ' HE3' ' A' ' 25' ' ' MET . 27.1 tt0 -44.22 -31.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.78 -39.86 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.53 -66.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.08 -52.26 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.9 -67.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -38.25 -57.93 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 39' ' ' LYS . 72.0 t -48.45 -52.5 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.38 -66.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.9 m -42.82 -33.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' ILE . 13.8 mmtm -71.36 -48.61 49.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.4 mm -36.83 -48.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' OE2' HG12 ' A' ' 16' ' ' VAL . 8.2 mp0 -67.5 -45.49 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -54.58 -27.51 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 96' ' ' ILE . 4.0 mm-40 -93.44 -41.21 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -66.07 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 13' ' ' ARG . 38.3 t80 -45.28 -28.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 t -78.85 -67.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -44.35 -37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.59 -37.48 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 60.77 26.03 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -166.56 153.56 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.3 p -110.23 55.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' ALA . 4.1 t70 -99.99 175.07 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -37.55 -57.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -44.44 -58.53 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CE1' HD23 ' A' ' 51' ' ' LEU . 40.4 t80 -41.53 -48.06 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -68.73 -41.41 79.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -51.2 -45.57 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CG ' HD11 ' A' ' 51' ' ' LEU . 8.2 tppt? -68.4 -43.95 76.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.9 t80 -58.46 -56.99 15.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -60.7 -17.15 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -88.39 -19.23 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.9 mt -86.38 -48.53 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.817 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.4 ptm -76.09 -19.38 58.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.05 -38.44 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -77.83 -6.92 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.4 mt -91.0 -44.34 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 8.0 t70 -43.04 139.97 2.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -34.31 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.75 -48.61 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -79.46 104.68 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -123.98 20.65 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.76 -35.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 81' ' ' LEU . 9.7 tp -45.78 -61.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.946 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.9 p90 -50.3 -27.92 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 22.9 mttt -85.05 -30.21 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -64.0 -55.56 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.13 -45.55 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.6 mp -60.79 -58.12 9.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -55.96 -40.84 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.07 -18.53 4.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -42.14 -51.05 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.536 HG22 ' CH2' ' A' ' 111' ' ' TRP . 61.4 t -112.02 151.09 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.02 152.91 37.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.11 20.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -98.89 -45.35 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -73.84 -32.59 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -46.19 -28.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 50' ' ' GLU . 12.9 mt -76.19 -38.77 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 9.0 mtp-105 -71.59 -19.63 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.4 mtp -59.92 125.83 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -65.47 158.23 74.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -11.52 31.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -98.94 -12.33 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.57 -38.61 11.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 100' ' ' PRO . 9.7 mt -48.42 -24.57 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.62 -21.9 17.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.2 t -42.03 -39.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt 43.02 42.76 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -91.22 147.72 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.3 tp -103.46 -72.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.48 -30.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.7 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.536 ' CH2' HG22 ' A' ' 90' ' ' VAL . 27.3 m95 -46.15 -60.68 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -174.98 133.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -91.72 55.03 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -110.65 -32.07 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 p -129.67 122.98 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.07 71.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.56 16.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.8 t 51.71 45.69 27.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.3 m -85.4 109.35 18.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -151.75 163.58 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -131.15 74.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.64 -36.35 0.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -126.04 118.94 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -83.71 106.61 15.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -132.87 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 t -160.87 115.42 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -42.36 -41.63 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.31 -48.48 76.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.32 -51.56 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' ALA . 78.9 mt -43.52 -58.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.4 -47.36 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.76 -57.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -52.94 -43.85 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 66' ' ' TYR . 55.2 t -52.31 -51.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -47.98 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -40.74 -45.33 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 m -57.28 -50.24 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 48' ' ' GLU . 61.8 mt -58.58 -45.06 89.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 22.9 ttpp -66.27 -33.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.48 -56.44 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.412 HD11 ' NZ ' ' A' ' 74' ' ' LYS . 50.6 mt -58.43 -65.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD11 ' A' ' 86' ' ' LEU . 14.4 mt -47.45 -36.5 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.443 ' HE1' ' HA ' ' A' ' 37' ' ' GLU . 9.1 mmt -61.01 -34.92 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HA ' HG22 ' A' ' 29' ' ' THR . 1.3 tmtm? -86.88 -26.59 23.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -78.17 -25.71 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -84.75 -34.03 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 26' ' ' LYS . 14.6 t -79.11 -29.88 43.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -34.47 57.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -88.17 -176.05 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -88.26 45.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 83' ' ' LYS . 11.3 mt -103.32 129.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -105.93 11.88 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.6 149.18 31.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 157.92 58.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 29.9 tt0 -64.23 -21.75 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.94 -24.88 59.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE2' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -55.57 -58.52 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.0 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -52.97 -56.82 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -48.87 -47.0 43.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' HE2' ' A' ' 39' ' ' LYS . 40.3 t -59.34 -62.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.82 -49.91 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -54.86 -36.84 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -75.21 -14.68 60.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.498 HD13 ' CB ' ' A' ' 92' ' ' PRO . 30.4 mm -76.06 -53.38 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.7 -48.94 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -46.77 -31.89 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 93' ' ' ASP . 20.8 tp10 -92.44 -42.94 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.1 tp -56.27 -61.4 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -49.52 -31.31 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -74.61 -63.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -43.84 -54.08 5.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.14 -38.69 60.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 70.91 25.86 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -168.96 164.82 11.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -122.44 56.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' TYR . 12.1 p-10 -113.6 -173.88 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.89 -51.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -55.69 -39.24 70.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.6 t80 -64.67 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -51.87 -48.87 63.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.75 -51.01 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 69' ' ' LEU . 14.1 tppt? -66.03 -43.33 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.6 t80 -58.78 -62.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 4.2 ptp180 -55.1 -20.5 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -81.27 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.9 mt -41.64 -36.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.8 ptm -87.06 -32.71 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -39.26 -38.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 6.5 m120 -84.61 -35.35 22.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 70' ' ' MET . 56.4 mt -57.71 -47.99 80.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' NZ ' HD11 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -68.8 -15.07 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.45 138.93 96.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -21.35 33.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -81.19 -44.43 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 72' ' ' ASN . 23.9 m120 -68.53 84.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 2.3 p30 -105.65 -5.4 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' HZ3' ' A' ' 84' ' ' LYS . 16.7 mt -101.3 -42.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 84' ' ' LYS . 11.6 tp -51.57 -61.77 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.5 p90 -49.82 -20.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 20.3 mttm -90.29 -33.09 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.712 ' HE2' HD12 ' A' ' 81' ' ' LEU . 33.0 mtmm -70.21 -37.87 75.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.22 -40.63 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -70.9 -56.28 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -56.27 -49.37 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 141.5 -26.26 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLY . 32.5 mt-10 -36.08 -37.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.58 124.76 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 p -76.03 150.42 83.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.498 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.77 -30.03 22.86 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' HG2' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.0 -22.99 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' ARG . 33.5 t60 -90.17 -31.71 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' HD13 ' A' ' 69' ' ' LEU . 44.6 tp -46.69 -20.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.23 -34.07 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' HIS . 52.2 mtt85 -74.89 -22.33 58.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 36.8 mtp -58.56 158.94 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -85.04 151.15 56.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.5 Cg_endo -69.77 -16.1 37.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.44 -11.36 25.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.22 -29.16 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 100' ' ' PRO . 7.9 mt -58.84 -19.54 42.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.75 -35.86 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -46.07 143.05 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -116.56 52.68 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.62 142.97 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -126.11 -11.13 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.512 ' N ' HD22 ' A' ' 108' ' ' LEU . . . -82.42 -14.6 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' ARG . 21.9 m95 -60.95 148.59 39.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 112' ' ' ARG . 8.8 ttp-105 -34.49 -58.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.8 tpt180 -36.09 134.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -109.42 127.25 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t 47.78 49.15 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.26 -75.73 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.6 Cg_endo -69.74 -15.27 37.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 117' ' ' PRO . 9.1 t -35.93 -54.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -58.62 110.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -104.42 84.22 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -63.7 158.35 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.92 139.32 4.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 m -139.42 135.57 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m -58.35 94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.97 137.47 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -114.06 159.23 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.15 -42.21 99.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -28.89 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 16' ' ' VAL . 92.9 mt -63.56 -73.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -47.23 -32.91 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.43 -65.55 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -46.49 -35.29 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 12' ' ' ILE . 72.0 t -49.7 -59.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 20.9 mtm180 -36.24 -65.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -38.68 -53.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' ASP . 1.3 t -52.32 -67.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD12 ' OE1' ' A' ' 48' ' ' GLU . 63.6 mt -38.72 -45.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.37 -38.8 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' SER . 9.3 t0 -54.29 -49.85 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 48.1 mt -64.28 -60.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 86' ' ' LEU . 13.8 mt -53.53 -28.74 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 mmt -68.56 -31.36 70.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -91.96 -33.63 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 19.8 mmm180 -71.14 -24.64 62.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -90.96 -32.81 15.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -75.32 -26.69 58.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -84.19 -36.41 22.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.5 p -77.45 -176.26 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -88.71 40.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.03 129.93 46.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -106.99 20.19 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -64.45 149.0 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.45 27.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.06 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.34 -33.52 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.57 -51.11 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -54.98 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.7 mttp -35.26 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.562 HG11 ' CG1' ' A' ' 85' ' ' VAL . 43.2 t -61.53 -59.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.98 -43.79 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ILE . 7.4 mmtp -81.61 -47.46 13.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LYS . 8.5 mm -36.9 -69.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.65 -40.28 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -56.69 -38.01 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HB2' HD11 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -83.19 -41.72 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.9 tp -64.37 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -56.87 -32.58 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.1 t -78.44 -22.67 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -81.01 -45.72 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.18 -19.64 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 54.62 26.84 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 58' ' ' THR . 65.9 t0 -173.38 142.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 p -93.48 55.31 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -98.15 -175.14 3.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.13 -41.49 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -59.99 -20.06 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.851 ' CE2' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -91.41 -46.15 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.93 -48.91 79.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -47.01 -47.56 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' HD11 ' A' ' 51' ' ' LEU . 11.8 tppt? -65.55 -40.04 92.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -56.78 -64.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 67' ' ' ARG . 1.5 ptp180 -51.75 -35.76 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 t -63.81 -35.91 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD22 ' HG ' ' A' ' 95' ' ' LEU . 16.2 mt -65.39 -51.51 59.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 73' ' ' LEU . 8.7 ptm -75.3 -19.28 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.9 -32.24 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' CG ' ' HB3' ' A' ' 103' ' ' LEU . 8.1 m-80 -91.3 -7.33 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 70' ' ' MET . 30.1 mt -95.19 -33.78 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.65 -24.14 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.45 136.01 91.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -29.88 23.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -73.78 -2.04 21.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 34.0 t-20 -131.85 112.74 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -130.44 24.39 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' LYS . 12.7 mt -114.92 -53.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 tp -36.64 -60.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.657 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -52.38 -33.72 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 31.8 mtpt -74.33 -39.15 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' CD ' ' HE1' ' A' ' 111' ' ' TRP . 19.5 mtmt -70.38 -35.66 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.562 ' CG1' HG11 ' A' ' 43' ' ' VAL . 87.9 t -67.98 -36.35 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.7 mp -82.31 -49.61 9.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -59.09 -45.48 90.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.79 -22.11 4.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -43.45 -25.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.744 HG22 ' CH2' ' A' ' 111' ' ' TRP . 19.9 t -126.72 140.31 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.71 148.66 35.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -5.45 16.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.84 -17.55 14.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -99.22 -32.65 11.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.6 tp -47.09 -27.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 50' ' ' GLU . 28.8 mt -74.92 -53.31 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -54.15 -24.02 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 43.3 mtp -53.04 140.65 24.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -80.71 156.3 72.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.71 -1.94 9.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -103.93 -31.4 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.99 -43.12 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt -42.8 -42.42 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -78.16 -45.07 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 104' ' ' ALA . 12.8 t -35.14 146.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -121.47 47.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.79 147.32 26.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -42.0 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.2 -23.04 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.55 -54.06 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.744 ' CH2' HG22 ' A' ' 90' ' ' VAL . 25.1 m95 -67.32 151.72 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -63.38 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -110.0 35.53 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -67.5 -56.67 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -129.83 100.94 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.36 147.18 50.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.18 3.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 m -77.55 83.54 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.9 p -83.75 160.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 p -156.09 161.74 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -128.75 -47.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.76 -93.37 2.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t 45.29 40.06 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.349 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -125.49 122.27 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.15 -44.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -86.3 151.91 23.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.48 -57.87 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.75 -46.82 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.82 -48.71 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 16' ' ' VAL . 78.5 mt -48.18 -52.88 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 11.6 mtp-105 -59.48 -48.36 81.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -56.57 -42.77 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 22.6 t -64.84 -57.29 9.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 12' ' ' ILE . 62.0 t -34.51 -50.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' HIS . 59.3 mtt180 -46.63 -71.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.0 OUTLIER -35.22 -59.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.43 -51.06 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.49 -54.46 35.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' CD ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 ttpm? -55.73 -25.17 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.21 -41.47 77.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD22 HD11 ' A' ' 86' ' ' LEU . 30.9 mt -51.94 -19.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -71.72 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -66.77 -23.18 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 82' ' ' PHE . 26.8 mmm180 -78.6 -43.17 27.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.3 pp -75.75 -42.02 51.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -63.33 -23.26 67.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -91.09 -25.49 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -95.45 160.5 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -55.3 -17.43 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.586 ' HB3' HG13 ' A' ' 35' ' ' VAL . 63.9 mt -38.82 -57.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 50.97 26.62 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 28' ' ' LEU . 18.4 m -65.87 151.26 95.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 139.28 40.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 22.8 tt0 -42.21 -29.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.68 -45.1 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -60.66 -68.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.55 -44.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . . . -69.16 -37.64 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . 27.3 mtmt -58.78 -41.61 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.38 -61.62 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.73 -49.67 37.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.5 m -50.22 -39.33 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 4.1 mptt -73.7 -46.68 44.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' LYS . 27.2 mm -37.55 -66.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.99 -52.47 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -38.64 -44.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -82.65 -43.67 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.969 HD23 ' CE1' ' A' ' 62' ' ' TYR . 4.5 tp -59.34 -68.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 74.2 t80 -39.92 -30.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -50.2 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -51.55 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.35 -24.58 65.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 51.48 31.29 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -172.57 149.77 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -100.62 54.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 60' ' ' ALA . 23.9 t70 -97.93 170.96 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.7 -49.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 28.5 mttt -48.68 -61.3 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.969 ' CE1' HD23 ' A' ' 51' ' ' LEU . 68.9 t80 -34.67 -58.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 56.6 mttt -58.67 -53.38 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LYS . 8.3 t30 -37.0 -49.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.707 ' HD2' HD21 ' A' ' 69' ' ' LEU . 16.8 tppt? -69.63 -54.9 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -43.35 -55.02 4.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' SER . 8.4 ptp180 -57.3 -36.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 3.9 m -67.68 -39.8 84.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 65' ' ' LYS . 61.6 mt -59.65 -39.36 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.5 ptm -89.51 -23.15 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -53.26 -40.48 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.2 m-80 -81.44 -18.02 46.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -80.62 -45.42 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -70.49 -42.52 71.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.06 138.16 7.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -41.17 4.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -55.22 -24.99 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 m120 -100.54 97.29 8.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 11.1 p30 -120.86 25.24 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.431 HG22 ' CE ' ' A' ' 84' ' ' LYS . 25.0 mm -123.57 -32.69 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 HD22 ' A' ' 103' ' ' LEU . 10.2 tp -63.27 -62.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.945 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.8 p90 -41.78 -30.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 33' ' ' LEU . 15.3 ttmm -84.74 -68.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 40.0 mtmt -34.27 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' LEU . 48.1 t -68.4 -49.77 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.945 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.5 mp -64.83 -53.5 45.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -55.98 -32.63 64.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 123.46 -28.71 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 39.9 mm-40 -34.62 -44.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -118.6 133.76 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.1 p -85.13 148.33 50.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -15.17 37.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -32.9 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -85.97 -29.85 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 95' ' ' LEU . 4.8 tt -47.59 -22.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -79.14 -45.65 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -71.28 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.436 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 mmm -63.29 162.89 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -95.27 155.36 38.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.44 36.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -103.11 -11.33 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -88.54 -34.1 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 81' ' ' LEU . 9.2 mt -56.26 -29.32 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.23 11.07 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -78.68 111.25 14.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.02 -44.55 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -41.88 157.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -114.93 -46.33 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -44.38 -43.05 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -39.61 -41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 29.0 m95 -54.49 -65.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -156.29 150.12 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -92.98 151.92 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -118.34 -66.94 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.8 m 58.05 53.32 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.25 -157.82 11.23 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.91 4.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 m -79.95 52.12 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p 43.42 45.14 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.522 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -76.59 143.41 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -156.51 120.25 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.06 127.86 4.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -173.97 174.11 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -67.03 -55.01 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.36 141.79 14.92 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -75.56 97.21 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.06 -41.09 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.27 -31.5 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' ILE . 28.0 tp60 -72.97 -59.22 2.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 80.3 mt -37.7 -45.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -67.69 -47.21 70.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -53.77 -54.13 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -38.72 65.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' ILE . 86.8 t -57.85 -40.83 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' A' ' 45' ' ' THR . 66.7 mtt180 -62.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' SER . 16.0 m170 -44.86 -62.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.2 t -36.77 -64.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -42.53 -57.64 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -53.86 -30.86 47.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.96 -48.37 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.546 HD11 ' HE3' ' A' ' 74' ' ' LYS . 44.5 mt -65.02 -63.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 86' ' ' LEU . 34.0 mt -49.43 -25.77 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.1 mmt -69.97 -65.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.66 58.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -87.45 -34.21 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.1 pp -84.0 -40.77 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.463 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.7 t -61.2 -23.22 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.76 -39.14 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -76.09 173.14 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 38.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 8.3 mt -84.33 -56.69 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt 59.2 45.74 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 86' ' ' LEU . 34.7 m -96.5 151.89 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.99 55.96 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -45.91 -38.6 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -48.6 -38.43 20.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -66.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.05 -60.53 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.73 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 37.1 mtpt -39.38 -54.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 85' ' ' VAL . 45.8 t -57.26 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.23 -34.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 ' NH1' ' A' ' 17' ' ' ARG . 20.2 m -67.96 -38.71 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -71.53 -45.06 63.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.428 HG22 ' OE2' ' A' ' 48' ' ' GLU . 4.9 mm -37.24 -60.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' OE2' HG22 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -67.59 -45.53 75.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -43.83 -32.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -44.02 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.858 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.5 tp -58.58 -59.5 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -45.91 -38.94 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.8 t -73.39 -48.39 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.33 -44.59 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.63 -17.0 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 38.07 32.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 1.3 p30 -174.6 141.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -94.34 59.11 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -95.43 170.36 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.55 -44.26 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' TYR . 24.0 mtmt -56.06 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.858 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.5 t80 -34.68 -64.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -57.78 -51.93 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -41.27 -40.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.52 -43.43 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.709 ' CE1' HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -52.96 -17.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -87.9 -57.35 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.794 HD11 ' HA ' ' A' ' 96' ' ' ILE . 22.1 mt -49.82 -32.24 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 73' ' ' LEU . 20.8 ptm -89.33 -23.26 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -37.79 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.13 -37.13 78.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 70' ' ' MET . 53.6 mt -53.93 -58.43 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 23' ' ' ILE . 9.6 ptpp? -69.31 -33.15 72.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.6 t70 -38.31 134.53 0.92 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -26.51 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -80.92 -36.22 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -99.02 98.78 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -121.71 40.06 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 84' ' ' LYS . 11.0 mt -129.65 -50.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' HD23 ' A' ' 73' ' ' LEU . 10.4 tp -36.46 -63.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' HD13 ' A' ' 86' ' ' LEU . 5.3 p90 -39.79 -39.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 19.5 tttm -79.11 -44.67 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HG3' HG22 ' A' ' 80' ' ' ILE . 26.0 mttt -51.36 -43.79 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 43' ' ' VAL . 40.6 t -68.1 -57.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 82' ' ' PHE . 6.8 mp -49.67 -53.09 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 mmmp? -61.73 -41.33 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 131.48 -26.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLY . 5.5 mm-40 -36.21 -50.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.514 HG22 ' CH2' ' A' ' 111' ' ' TRP . 21.9 t -106.75 126.86 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 147.05 64.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.95 35.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -95.03 -24.81 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ARG . 22.7 t60 -88.35 -37.61 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 81' ' ' LEU . 16.3 tp -41.07 -27.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.794 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.6 mt -77.65 -42.5 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' HIS . 51.0 mtp180 -69.82 -24.26 63.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.1 mtp -58.98 138.38 57.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.63 150.8 95.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.585 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.83 -12.23 32.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.361 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -101.79 -30.08 11.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' SER . 34.1 mm-40 -73.12 -40.35 65.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 100' ' ' PRO . 10.4 mt -44.4 -26.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.77 -32.2 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 3.6 t -55.23 111.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -77.52 67.8 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' C ' HD22 ' A' ' 108' ' ' LEU . 5.7 mm-40 -107.87 130.61 54.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.464 HD22 ' C ' ' A' ' 107' ' ' GLU . 0.8 OUTLIER -109.66 -56.73 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 108' ' ' LEU . . . -34.81 -41.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -36.69 -59.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.514 ' CH2' HG22 ' A' ' 90' ' ' VAL . 20.9 m95 -46.44 148.43 0.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -119.05 -49.42 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.26 111.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 115' ' ' SER . 16.2 tpt180 -82.61 88.53 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' ARG . 2.7 m -35.86 -50.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.77 161.23 5.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 90.73 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 t -89.9 143.75 26.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.0 t -51.96 -61.78 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -48.91 147.74 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -172.67 170.89 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.01 -110.16 3.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -43.9 -42.91 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -118.57 127.24 53.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.81 148.53 17.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -65.9 94.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.65 -50.41 3.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.46 -28.27 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.74 -37.44 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.11 -70.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -43.86 -38.97 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -49.71 -38.66 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.697 HG13 ' CE1' ' A' ' 66' ' ' TYR . 69.6 t -50.66 -43.22 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -53.51 -62.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -47.87 -54.13 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.2 m -46.57 -67.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -43.08 -60.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' ASP . 29.9 ttpt -45.79 -58.0 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.6 t70 -34.36 -59.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.9 mt -50.77 -64.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 86' ' ' LEU . 33.0 mt -48.72 -32.44 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.538 ' SD ' ' HB3' ' A' ' 40' ' ' ALA . 62.6 mmm -72.86 -38.36 67.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -20.06 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 25.0 mmm180 -90.92 -18.97 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -95.67 -37.31 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.484 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -70.56 -23.97 62.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.81 -44.59 7.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -68.72 -179.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.94 41.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.42 139.13 40.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -122.48 27.66 7.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.34 149.57 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.51 67.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -50.27 -29.8 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.41 -39.56 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -43.29 -64.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HB3' ' SD ' ' A' ' 25' ' ' MET . . . -59.75 -59.22 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.95 -32.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -74.61 -41.13 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 39' ' ' LYS . 97.9 t -57.63 -65.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.14 -51.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.7 m -51.54 -41.13 60.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CD ' ' HG3' ' A' ' 92' ' ' PRO . 72.4 mttt -70.2 -23.06 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 92' ' ' PRO . 34.0 mm -69.36 -51.61 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -38.65 -32.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -46.55 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.6 tp -64.06 -61.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -48.7 -24.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.6 t -82.65 -59.48 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -52.21 -37.43 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 39.4 m-85 -89.56 -21.07 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.1 ptp180 42.68 30.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -174.86 151.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 45.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 35.2 t0 -83.53 168.15 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -36.68 -52.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' TYR . 29.5 mtmt -46.3 -65.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.796 ' CE2' HD23 ' A' ' 51' ' ' LEU . 18.9 t80 -35.96 -44.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.86 -57.11 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -37.56 -42.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -72.62 -49.08 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -53.94 -60.27 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 39.4 ptt85 -49.82 -42.02 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 t -64.54 -47.69 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -38.88 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.58 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.5 ppp? -88.27 -13.75 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 35.6 t80 -66.8 -47.65 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -69.56 -34.73 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 70' ' ' MET . 95.2 mt -55.9 -44.4 78.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.81 -35.9 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -39.4 134.92 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -37.24 9.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.622 2.215 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -63.61 -41.15 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -87.88 98.5 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -121.22 30.35 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.04 -43.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 103' ' ' LEU . 10.6 tp -45.86 -69.3 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.0 p90 -40.78 -45.69 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 34.0 ttmt -60.38 -60.19 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 46.0 mtmt -48.54 -33.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.1 t -69.94 -62.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 24' ' ' LEU . 10.0 mp -51.95 -51.48 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -57.65 -37.98 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 129.23 -28.58 4.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' GLY . 17.4 mt-10 -34.78 -47.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -111.62 141.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.64 144.2 27.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -4.79 14.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -106.42 -16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -94.84 -29.93 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.9 tp -46.64 -27.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 mt -76.79 -43.01 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -66.34 -22.6 66.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mmm -58.85 171.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -106.35 156.24 37.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.715 0.769 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.21 25.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -106.9 -24.03 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.1 -37.6 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 81' ' ' LEU . 14.3 mt -49.1 -28.68 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.42 -35.61 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 t -41.41 108.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -88.04 69.34 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.78 105.09 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.76 -23.26 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.82 32.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.5 -41.6 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.456 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 25.4 m95 -55.42 145.96 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -52.37 171.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.87 46.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -63.21 -47.66 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -134.27 172.82 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.29 144.13 21.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.75 33.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.1 p -174.11 106.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 p -77.11 156.38 31.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.15 142.53 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -98.3 106.74 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.24 -140.6 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m 61.16 41.62 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -115.35 143.53 45.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.61 -170.07 10.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t 72.76 35.63 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.02 -43.58 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -43.73 81.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -54.53 -52.42 62.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -48.05 -57.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -59.82 -54.06 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.2 -48.61 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -54.72 -47.41 73.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -44.6 -46.2 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' NE ' ' OG1' ' A' ' 45' ' ' THR . 41.7 mtp180 -46.44 -58.16 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' SER . 6.9 t-160 -54.12 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 3.8 m -36.38 -54.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.17 -63.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.3 ttpt -44.37 -35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.94 -54.6 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.546 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 55.3 mt -59.22 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.81 HD22 HD11 ' A' ' 86' ' ' LEU . 29.1 mt -48.1 -35.41 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.4 mmt -58.2 -34.75 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -91.82 -28.9 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.15 -20.63 57.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -94.2 -36.96 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 26' ' ' LYS . 6.1 t -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -37.11 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -77.81 170.72 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.21 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 mt -94.77 -65.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? 70.7 42.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.38 152.24 42.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.27 42.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 13.9 tt0 -42.37 -32.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.73 -43.5 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.11 -69.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.83 -60.16 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -41.05 -53.97 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -54.91 -58.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.17 -47.91 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.432 ' OG1' ' NE ' ' A' ' 17' ' ' ARG . 15.8 m -58.89 -24.6 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -90.98 -11.14 39.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 HG22 ' OE1' ' A' ' 48' ' ' GLU . 48.7 mm -73.26 -43.85 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.4 -52.39 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' GLU . 22.8 pttt -37.41 -38.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 96' ' ' ILE . 7.8 tp10 -89.96 -30.19 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -64.62 -61.15 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -53.46 -36.11 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 t -75.74 -36.07 60.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.94 -56.72 14.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -78.03 -38.67 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 73.55 29.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.84 146.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.7 p -100.8 57.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.3 m-20 -105.76 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.4 -66.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' ASN . 32.8 mtmt -37.86 -62.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.884 ' CE1' HD23 ' A' ' 51' ' ' LEU . 82.5 t80 -36.52 -52.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -29.73 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' LYS . 34.0 t-20 -63.74 -28.35 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -83.31 -39.74 20.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -62.9 -61.18 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -50.38 -28.62 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 t -77.56 -51.45 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 96' ' ' ILE . 8.0 mt -52.42 -38.5 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.546 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 5.0 ptm -84.48 -37.92 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -45.39 -34.68 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -87.0 -26.02 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.3 mt -68.51 -50.92 48.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -76.72 -17.23 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -50.68 128.96 26.95 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -26.78 27.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -78.02 -31.57 50.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 115.15 28.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.63 48.63 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 84' ' ' LYS . 19.8 mm -131.04 -57.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.487 HD21 HD11 ' A' ' 95' ' ' LEU . 12.1 tp -43.61 -63.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.868 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.2 p90 -41.95 -26.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -93.1 -33.75 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 80' ' ' ILE . 36.5 mtmt -68.66 -39.04 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 95' ' ' LEU . 77.3 t -73.47 -38.49 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.2 mp -71.64 -54.0 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -57.6 -44.1 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 137.62 -27.38 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.7 mm-40 -34.55 -48.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.81 146.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -93.57 155.05 41.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.35 30.84 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.9 -42.19 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ARG . 19.7 t60 -74.64 -35.29 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 85' ' ' VAL . 53.4 tp -44.79 -23.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.549 HG21 HD12 ' A' ' 51' ' ' LEU . 10.9 mt -84.55 -34.0 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' HIS . 13.1 ptm180 -103.9 34.74 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.1 mtp -97.21 140.37 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -46.96 144.47 3.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -103.13 -13.48 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.26 -32.15 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.7 mt -51.57 -38.96 56.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -90.69 -39.6 12.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' ALA . 23.1 t -36.26 143.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -123.75 43.59 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -96.66 118.76 33.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.702 ' H ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -109.67 5.2 22.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.45 -16.45 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -45.26 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.547 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 32.7 m95 -45.21 130.61 7.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -69.62 -177.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.03 -177.18 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.78 167.83 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 m -96.01 166.52 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.88 145.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 122.64 9.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.5 t -51.37 109.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -66.0 157.35 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 69.21 40.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -110.74 116.58 31.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 -134.97 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -38.67 127.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -59.14 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.59 -156.27 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -145.83 145.97 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.11 -63.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.03 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -43.54 -48.62 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' VAL . 85.8 mt -54.98 -54.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -57.72 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.65 -45.67 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -56.47 -42.71 78.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 20' ' ' LEU . 77.1 t -51.68 -53.84 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 31.9 mtm-85 -42.97 -61.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -52.22 -61.3 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -43.45 -62.39 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 HG12 ' A' ' 16' ' ' VAL . 80.1 mt -50.6 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ASP . 21.7 ttpt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.5 t0 -35.07 -58.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD12 ' HE2' ' A' ' 70' ' ' MET . 29.3 mt -48.77 -56.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' CD1' ' A' ' 86' ' ' LEU . 52.4 mt -58.94 -32.43 69.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.463 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 12.4 mtp -74.92 -25.75 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -32.19 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.21 -24.03 43.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -86.75 -40.51 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -63.88 -19.94 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.37 -53.98 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -66.55 -179.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -91.51 47.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.43 126.55 38.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -99.9 9.43 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -56.65 151.12 32.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HB2' ' CD ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.77 163.89 36.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' HE1' ' A' ' 25' ' ' MET . 19.6 tt0 -61.65 -47.83 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 36' ' ' PRO . 7.3 pm0 -51.9 -38.58 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.06 -58.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -68.51 -65.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -39.31 -49.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 39' ' ' LYS . 50.2 t -54.62 -58.39 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.63 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.1 m -70.34 -25.54 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 92' ' ' PRO . 20.1 mmtt -80.44 -38.22 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -48.24 -55.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' CG1' ' A' ' 16' ' ' VAL . 1.4 mp0 -65.09 -58.38 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLU . 37.3 tttp -34.6 -37.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' GLU . 6.7 tp10 -91.5 -44.61 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.705 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.4 tp -54.74 -59.11 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.67 -34.22 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -77.92 -18.75 55.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -93.57 -32.52 14.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.6 -15.01 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 43.83 29.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -172.6 155.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.3 p -110.89 46.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.39 -174.93 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.24 -45.17 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -33.77 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.705 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.7 t80 -68.41 -61.87 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -48.01 76.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' A' ' 51' ' ' LEU . 4.3 tppp? -80.12 -48.04 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.13 -50.52 64.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.96 -35.02 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 12.8 t -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.88 -43.75 82.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.881 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.8 ptm -81.44 -14.03 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.0 -35.18 69.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.91 -11.32 59.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 70' ' ' MET . 19.1 mt -89.26 -42.15 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -19.67 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.21 130.51 91.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.99 25.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -5.17 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -130.32 77.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -103.03 51.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -134.98 -51.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.3 tp -47.02 -61.05 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -38.53 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LEU . 36.5 ttmt -92.55 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HE3' HD12 ' A' ' 81' ' ' LEU . 54.2 mtmt -34.23 -42.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.1 t -67.29 -60.47 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.4 mp -51.55 -52.63 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.72 -43.58 80.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 136.5 -29.72 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 6.0 mm-40 -35.43 -46.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' LYS . 84.2 t -117.58 150.35 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.08 159.75 28.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 46' ' ' LYS . 53.6 Cg_endo -69.76 -21.93 32.82 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -82.95 -57.66 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.58 -29.19 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -47.73 -20.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.07 -47.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -62.03 -19.04 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -61.33 161.58 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 156.42 58.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -5.55 16.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.84 -24.63 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.71 -29.9 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.57 1.52 46.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 m -81.61 109.21 15.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -85.57 71.12 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -127.01 112.32 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 111' ' ' TRP . 24.5 mt -106.72 37.75 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.63 -25.51 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.6 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 17.5 m95 -47.01 120.24 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' TRP . 6.4 tpt180 -34.88 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -73.18 83.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -66.74 -57.96 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -90.69 117.78 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.15 -179.12 29.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.32 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -128.96 157.8 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 p -101.15 165.55 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 p -58.37 116.19 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -43.96 107.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.88 179.03 47.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.0 p -94.49 166.67 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 48.7 m 36.91 41.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.7 -86.4 1.89 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -122.61 41.17 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -65.57 -62.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.82 -46.82 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -53.42 -45.28 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 9' ' ' ALA . 53.0 mt -57.3 -54.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 52' ' ' PHE . 74.6 mtm180 -57.11 -55.35 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 14' ' ' GLN . 7.4 tm0? -39.95 -50.3 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -55.28 -47.99 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.741 HG11 ' CD ' ' A' ' 48' ' ' GLU . 58.8 t -48.92 -45.02 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -53.81 -66.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -44.8 -59.74 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -41.52 -49.97 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.8 -57.01 14.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.6 ttpt -54.31 -28.81 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.71 -44.95 92.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.03 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 86' ' ' LEU . 57.1 mt -51.76 -17.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 2.8 mmt -78.9 -55.71 4.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -21.71 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.95 -39.69 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -78.59 -41.32 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.9 t -58.72 -32.07 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.16 -53.61 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -60.23 -178.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.34 49.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -106.85 122.53 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -100.86 30.36 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.36 147.19 95.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.15 46.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -42.94 -37.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.88 -46.2 82.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.0 -62.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.31 -50.04 63.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.99 -69.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -37.47 -48.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 39' ' ' LYS . 51.2 t -54.89 -58.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.89 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -60.01 -30.37 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.9 mttt -85.82 -39.27 17.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 HD23 ' A' ' 95' ' ' LEU . 47.1 mm -36.59 -55.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.741 ' CD ' HG11 ' A' ' 16' ' ' VAL . 28.1 mm-40 -76.53 -34.41 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -49.92 -40.99 45.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -85.32 -43.45 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.8 tp -55.72 -60.93 2.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 20.4 t80 -42.15 -43.35 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -71.41 -64.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -39.39 -52.94 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.54 -48.49 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 74.7 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -171.54 159.3 5.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -119.66 47.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.4 m-20 -97.1 177.61 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.27 -65.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' TYR . 20.7 mtmm -37.4 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' HD23 ' A' ' 51' ' ' LEU . 55.8 t80 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.64 -49.31 71.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -41.62 -48.02 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 51' ' ' LEU . 12.2 tppt? -64.08 -50.24 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.686 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -56.09 -65.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 68' ' ' SER . 9.3 ptm180 -47.64 -37.37 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 16.9 m -69.12 -40.93 78.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 96' ' ' ILE . 9.6 mt -60.59 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.56 ' HA ' HD12 ' A' ' 73' ' ' LEU . 26.4 ptm -72.94 -30.18 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.04 -39.03 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -80.52 -25.62 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 70' ' ' MET . 87.6 mt -71.45 -43.8 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -73.45 -20.27 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.61 127.83 88.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.723 . . . . 0.0 110.896 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -33.36 16.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' NZ ' ' HB1' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -54.66 -32.08 58.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -110.36 79.82 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.3 p30 -98.91 47.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.4 mt -128.14 -46.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.2 tp -47.21 -67.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -40.11 -34.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -76.75 -46.0 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HE3' HD12 ' A' ' 81' ' ' LEU . 56.6 mtmt -59.15 -36.92 76.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.75 -58.62 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 11.0 mp -56.15 -45.78 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -63.24 -44.87 94.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.68 -27.52 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -39.49 -34.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.439 HG22 ' CH2' ' A' ' 111' ' ' TRP . 43.2 t -124.23 147.65 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 152.25 38.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.709 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 2.8 p30 -95.77 -37.06 10.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' ILE . 30.8 t60 -80.81 -33.75 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 47' ' ' ILE . 19.6 tp -41.76 -25.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.689 ' HA ' HD11 ' A' ' 69' ' ' LEU . 8.2 mt -72.74 -70.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -39.72 -33.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.9 mtp -55.74 125.88 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -71.88 160.08 83.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.676 0.75 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.56 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -95.81 -25.78 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.58 -43.97 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.703 HD22 HD21 ' A' ' 81' ' ' LEU . 73.9 mt -40.95 -44.17 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.604 ' HB1' ' NZ ' ' A' ' 77' ' ' LYS . . . -79.49 -39.5 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' ALA . 16.0 p -35.08 130.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' GLU . 14.1 tttp -83.57 -38.12 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 106' ' ' LYS . 20.3 mt-10 -34.51 106.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' ALA . 5.2 tt -92.59 -51.78 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' LEU . . . -34.68 -38.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -35.87 -46.65 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.439 ' CH2' HG22 ' A' ' 90' ' ' VAL . 24.0 m95 -46.53 150.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -60.8 96.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -57.18 111.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -142.99 -177.72 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.7 143.34 3.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.428 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.68 54.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.4 t -69.51 -59.34 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -44.77 -55.52 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -89.6 115.7 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.81 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -123.24 120.78 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.97 124.38 36.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -100.45 160.7 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -79.14 95.39 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.7 127.77 7.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -161.25 166.34 27.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -58.46 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -53.28 -55.13 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.5 -64.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 13.1 mtp-105 -50.02 -46.82 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -55.48 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 t -48.86 -41.54 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 66' ' ' TYR . 97.0 t -53.29 -48.19 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -56.25 -71.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -46.33 -59.37 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 20.9 m -37.92 -59.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' OE2' ' A' ' 48' ' ' GLU . 47.2 mt -54.33 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.1 ttpt -47.11 -28.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.52 -52.24 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 55.4 mt -64.22 -54.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.4 mt -60.0 -17.18 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.6 mmt -81.57 -33.31 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -93.72 -19.29 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 78' ' ' ASN . 19.3 mmm180 -86.34 -20.98 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.62 -33.18 15.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 26' ' ' LYS . 9.4 t -69.44 -33.37 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.78 -38.51 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 m -80.76 168.68 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -79.38 49.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' HE2' ' A' ' 83' ' ' LYS . 23.2 mt -102.77 128.93 49.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -108.41 29.35 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -72.5 147.15 89.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.39 57.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -47.17 -34.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -44.34 91.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -68.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.21 -56.04 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -50.53 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' ALA . 29.4 mtpt -36.04 -51.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -53.82 -55.58 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.55 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -49.99 -30.02 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -77.91 -44.85 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.535 HD12 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -41.8 -56.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HG3' HG11 ' A' ' 16' ' ' VAL . 11.5 mp0 -69.75 -53.43 18.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 35.3 tttt -35.26 -39.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -89.68 -37.49 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' CE2' ' A' ' 62' ' ' TYR . 5.8 tp -62.2 -58.82 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -50.86 -40.45 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 t -72.36 -39.27 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.91 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -75.34 -33.21 61.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 9.4 ttm105 66.58 29.35 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 7.6 m-20 -174.74 164.04 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.1 p -113.27 48.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.25 -177.44 6.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.65 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -76.21 -65.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.742 ' CE2' HD23 ' A' ' 51' ' ' LEU . 5.4 t80 -41.93 -44.05 3.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -70.63 -45.45 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -52.99 -36.33 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' CG ' HD11 ' A' ' 51' ' ' LEU . 14.9 tppt? -70.84 -51.11 28.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.494 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -52.75 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -51.59 -29.4 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -80.88 -25.79 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.37 -35.9 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.448 ' CE ' ' CD1' ' A' ' 23' ' ' ILE . 2.2 ppp? -89.38 -19.97 24.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -58.43 -32.08 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -78.85 -53.09 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -42.07 -55.6 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 21.5 ptmt -58.51 -38.61 78.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -39.09 125.94 1.27 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.559 0.695 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -22.22 32.58 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -77.43 -32.96 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 2.6 m120 -94.09 89.35 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 26.3 p30 -106.7 36.24 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' HG3' ' A' ' 84' ' ' LYS . 9.7 mt -128.51 -54.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -39.39 -63.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.739 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -39.4 -46.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' HD21 ' A' ' 33' ' ' LEU . 7.4 tttt -69.86 -68.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' A' ' 80' ' ' ILE . 31.4 mtmt -34.33 -38.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.26 -51.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.8 mp -61.37 -51.53 68.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -58.37 -40.3 81.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.45 -24.63 3.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.48 -40.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 t -122.28 126.93 74.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 p -81.42 152.39 70.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -20.9 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.01 -34.68 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 47' ' ' ILE . 18.1 tp -42.72 -27.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.518 ' CG2' HD12 ' A' ' 51' ' ' LEU . 16.7 mt -79.46 -50.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -56.21 -26.54 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.1 mmm -57.53 146.79 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 p -81.44 155.9 71.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.43 3.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.34 -37.2 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -73.97 -34.95 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.09 -30.88 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.19 -26.47 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.2 t -39.48 135.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -129.65 38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 107' ' ' GLU . 2.4 pm0 -122.89 164.55 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.28 -56.26 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.8 -20.35 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.57 55.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -59.35 154.03 17.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -93.68 121.71 35.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.3 mmm-85 -58.99 166.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 60.66 43.6 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 m -156.2 115.57 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.67 83.63 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.82 49.02 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.8 p -96.77 -46.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 92.9 p -102.87 86.16 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.458 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -173.82 141.15 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -64.38 120.79 12.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.67 154.71 6.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -127.64 148.32 50.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -115.25 142.34 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.23 -58.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -76.1 91.71 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.812 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -54.05 -59.27 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.84 -53.44 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.72 -45.16 82.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 9' ' ' ALA . 84.2 mt -55.89 -64.68 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 21.4 mtm105 -48.01 -45.55 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.08 -53.85 52.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -49.43 -44.77 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.696 HG13 ' CE1' ' A' ' 66' ' ' TYR . 98.3 t -47.34 -44.55 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -55.23 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.5 -52.58 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -49.79 -58.02 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.3 -55.68 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 35.5 ttpt -53.97 -40.22 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.04 -52.47 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 59.3 mt -62.35 -57.41 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 86' ' ' LEU . 43.6 mt -55.02 -21.65 12.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mmt -76.41 -39.58 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.91 -22.78 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 79' ' ' ASN . 24.2 mmm180 -83.23 -22.99 32.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.16 -36.9 13.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.4 t -69.14 -31.45 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -78.45 -57.08 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -53.76 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -89.32 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -105.4 157.1 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 12.8 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.99 147.56 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.85 32.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 -22.88 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.32 -25.48 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -68.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.08 -58.94 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -50.74 -51.08 53.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -53.55 -44.64 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.65 -58.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.01 -47.0 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -58.96 -21.17 57.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -91.7 -15.94 27.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.93 -53.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -63.87 -57.4 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' GLU . 15.2 tp10 -96.34 -41.18 8.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.592 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.3 tp -64.3 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.46 -24.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -84.61 -50.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -56.73 -29.39 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.68 -33.1 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 24.3 mtt-85 56.05 31.91 18.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 13.4 m-20 -171.92 154.91 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.6 p -101.62 29.77 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.36 169.66 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.32 -38.6 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -60.16 -31.66 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -72.54 -57.4 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.98 -42.69 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.83 -48.03 41.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.29 -44.09 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.696 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.7 t80 -57.11 -55.98 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -63.37 -23.99 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -79.42 -39.22 32.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -49.0 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 15.6 ptm -70.16 -27.28 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -49.38 -45.21 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -72.9 -22.7 60.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' MET . 89.2 mt -73.66 -53.96 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 31.1 pttt -69.29 -3.84 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.28 121.87 84.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.45 37.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -83.59 -43.72 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 52.5 t-20 -87.26 87.29 7.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -101.63 42.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 mt -129.67 -57.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 9.7 tp -34.9 -69.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.2 p90 -42.23 -51.84 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 30.7 ttmt -55.37 -58.04 9.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 42.6 mtmt -49.85 -35.16 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.9 t -70.3 -66.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 24' ' ' LEU . 11.1 mp -49.22 -45.82 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.11 -43.45 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.02 3.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -39.36 -55.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.4 t -98.73 145.8 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.15 149.33 35.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.535 0.684 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.54 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.63 -24.39 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 96' ' ' ILE . 40.7 t-80 -86.96 -36.82 18.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -42.7 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 94' ' ' HIS . 17.5 mt -79.9 -56.3 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 14.5 mtp-105 -57.97 -24.95 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -53.52 152.8 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.0 m -78.79 150.0 74.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.8 -22.93 31.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -84.14 -25.13 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' SER . 83.0 mt-10 -78.25 -45.19 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 81' ' ' LEU . 33.2 mt -39.53 -30.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.61 -36.83 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 102' ' ' GLU . 20.5 p -47.22 145.29 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -113.96 44.97 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.51 129.55 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.6 tp -100.31 -52.49 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.25 -22.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.91 -58.05 4.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -55.42 163.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -138.53 157.76 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -95.59 129.73 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -104.36 105.17 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.9 t -38.84 -45.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 87.32 -159.29 30.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 122.55 9.21 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.3 p -83.72 125.08 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.3 m -111.36 161.24 16.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.41 88.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -125.86 142.96 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.31 104.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 p -155.26 160.62 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 p -52.89 148.78 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.44 -89.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -90.05 98.19 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 110.811 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.72 -53.73 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.19 -46.12 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.41 -47.73 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.08 -61.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -49.65 -48.54 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -54.48 21.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -52.64 -47.57 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' CD ' ' A' ' 48' ' ' GLU . 91.2 t -47.57 -50.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -57.46 -66.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -43.23 -54.38 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 m -47.9 -57.91 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.2 mt -49.16 -47.55 45.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.7 ttpt -62.35 -31.86 72.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.54 -54.83 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 14.8 mt -58.19 -60.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -54.05 -28.45 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.461 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 mmt -68.05 -32.36 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.59 -31.58 15.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.8 mmm180 -72.0 -33.5 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -80.66 -39.29 27.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 t -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.5 -46.28 12.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -72.94 -179.37 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -95.17 48.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.717 ' HB3' HG13 ' A' ' 35' ' ' VAL . 13.1 mt -88.45 -47.7 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp 55.07 28.52 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.717 HG13 ' HB3' ' A' ' 33' ' ' LEU . 9.2 m -80.61 149.07 67.33 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.32 47.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.23 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -40.63 -44.05 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.87 -58.07 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HE2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.96 -67.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.65 -58.51 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -48.44 -67.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' ALA . 6.6 mtpm? -34.31 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CG2' ' HE2' ' A' ' 39' ' ' LYS . 96.0 t -53.6 -59.11 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.77 -56.92 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -50.86 -31.91 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.2 mmtp -76.46 -45.59 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.0 mm -37.49 -61.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.513 ' CD ' HG12 ' A' ' 16' ' ' VAL . 1.6 mp0 -63.32 -52.22 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 39.7 tttm -36.22 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -94.97 -39.04 10.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.2 tp -60.59 -58.89 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ARG . 26.5 t80 -47.43 -43.74 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -67.89 -55.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.796 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -41.37 -38.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.83 -13.36 16.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 25.2 mtt180 45.94 32.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -174.82 167.68 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 45.0 p -119.71 60.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -100.7 178.91 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.92 -54.17 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' ASN . 19.6 mtmm -50.4 -65.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 51' ' ' LEU . 29.1 t80 -40.32 -49.2 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -67.08 -36.08 81.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' LYS . 21.5 t-20 -60.95 -37.05 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.3 tppm? -71.47 -45.52 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 1.6 t80 -58.02 -60.52 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -25.3 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -78.69 -53.29 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 95' ' ' LEU . 14.0 mt -50.07 -42.1 49.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.5 ptm -82.61 -18.17 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -52.42 -45.32 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.04 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' MET . 73.4 mt -84.78 -46.06 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -78.09 -3.51 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.81 121.88 84.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.99 8.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -17.53 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -118.05 88.14 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.65 57.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' ' 84' ' ' LYS . 11.0 mt -132.06 -58.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 103' ' ' LEU . 11.7 tp -42.65 -68.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.72 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -38.54 -33.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -80.67 -44.03 19.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 50.1 mtmt -61.74 -34.56 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.66 -48.46 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -64.99 -50.85 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.07 -43.87 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.35 -22.99 3.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG22 ' CH2' ' A' ' 111' ' ' TRP . 30.6 t -117.13 124.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 150.79 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -16.4 37.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.11 -15.84 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -101.12 -31.56 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' A' ' 69' ' ' LEU . 11.4 tp -48.45 -28.93 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -71.65 -53.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -52.72 -24.57 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 40.5 mtp -59.27 154.39 16.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 1.8 m -91.16 160.4 37.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.92 -45.99 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 99' ' ' SER . 1.7 mp0 -57.36 -46.31 83.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 81' ' ' LEU . 86.6 mt -42.93 -27.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.93 -38.15 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -50.47 146.08 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 59.93 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.0 61.2 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.6 -56.6 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.13 -31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -44.3 -52.8 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 14.6 m95 -49.02 155.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -104.95 167.49 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.6 mmm-85 -121.87 44.52 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -57.35 105.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -67.96 136.37 53.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.06 -95.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.6 Cg_endo -69.8 -19.76 35.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' PRO . 15.6 p -34.55 118.83 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.7 t -43.06 -44.67 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.519 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -87.81 -54.89 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -151.46 155.15 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 89.22 2.0 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -79.01 83.53 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -90.45 108.55 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.41 -151.29 22.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -96.88 127.48 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.36 44.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.53 -25.11 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.76 -51.79 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.8 mt -52.22 -49.41 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -66.0 -54.16 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -48.69 -52.6 22.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.28 -47.74 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.755 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.0 t -45.78 -54.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' CZ ' HG23 ' A' ' 45' ' ' THR . 53.8 mtt180 -43.39 -62.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.23 -58.37 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.48 -64.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.2 -47.3 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 31.4 ttpt -65.56 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.36 -48.7 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.37 -63.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 86' ' ' LEU . 18.7 mt -50.23 -23.69 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.565 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.9 mmt -70.05 -38.74 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -86.01 -27.04 25.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -25.09 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.78 -32.86 14.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.489 HG22 ' HA ' ' A' ' 26' ' ' LYS . 1.5 t -78.76 -16.39 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -93.05 -42.38 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.3 p -74.63 179.33 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -82.92 41.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.7 mt -102.01 126.96 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -108.74 33.97 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m -77.36 147.45 75.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.28 50.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 2.3 tm-20 -42.21 -44.23 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -44.06 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -69.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.45 -56.66 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -48.72 -67.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 54.5 mttt -38.44 -54.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.6 -55.44 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.53 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 17' ' ' ARG . 10.4 m -46.78 -30.52 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 3.7 mptt -78.34 -50.6 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' LYS . 22.8 mm -36.68 -55.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' LYS . 1.4 mp0 -66.35 -54.94 18.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' GLU . 33.9 tttp -36.08 -43.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.1 -54.27 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.965 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.9 tp -44.01 -61.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -43.72 -46.73 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -64.82 -59.43 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -39.5 -69.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.38 -42.41 87.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 68.76 30.62 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -168.49 150.25 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 p -104.74 58.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -108.72 -178.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.77 -58.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.5 mtmp? -42.39 -64.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.965 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.1 t80 -34.46 -57.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ASN . 62.8 mttt -61.61 -53.3 58.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 5.2 t-20 -36.31 -44.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.2 tppm? -69.86 -59.92 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.755 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.3 t80 -42.58 -55.36 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 68' ' ' SER . 11.1 ptm180 -56.2 -35.2 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.6 t -68.93 -48.15 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD22 ' HG ' ' A' ' 95' ' ' LEU . 77.2 mt -49.8 -53.9 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.643 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.8 ptm -71.28 -30.46 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -39.09 -51.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.7 -44.65 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -49.95 -46.25 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ASP . 9.3 ptmm? -75.53 -38.35 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.6 t0 -35.0 116.42 0.54 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.624 0.726 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.88 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -95.55 -29.35 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -104.26 107.9 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -122.21 49.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.775 HD13 HD21 ' A' ' 108' ' ' LEU . 23.5 mt -127.02 -44.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.6 tp -49.67 -69.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 86' ' ' LEU . 4.1 p90 -39.12 -39.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -69.68 -52.02 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.688 ' HE2' HG22 ' A' ' 80' ' ' ILE . 55.9 mtmt -56.71 -38.4 72.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -69.7 -58.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.614 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.5 mp -54.72 -53.31 56.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -56.24 -46.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 135.72 -26.19 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' GLY . 9.5 mm-40 -37.07 -46.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG22 ' CH2' ' A' ' 111' ' ' TRP . 39.2 t -108.94 137.11 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.6 p -89.89 147.29 37.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.61 16.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.19 -31.29 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -84.72 -30.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.2 tp -45.55 -35.09 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.1 mt -73.03 -48.62 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -55.4 -29.68 58.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.07 172.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -105.69 152.52 40.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -9.89 27.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -98.19 -27.01 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.07 -36.88 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 100' ' ' PRO . 16.0 mt -46.74 -38.78 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -82.49 -28.47 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' ALA . 8.3 t -36.8 138.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.73 26.16 4.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -92.87 127.35 38.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 80' ' ' ILE . 3.8 mm? -107.88 -55.42 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' ALA . . . -39.94 -36.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -35.41 -50.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.612 ' CH2' HG22 ' A' ' 90' ' ' VAL . 44.5 m95 -44.79 144.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -84.26 171.51 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -108.27 151.54 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.33 97.72 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.2 p -71.26 109.5 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 160.93 -158.1 29.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.3 p -99.45 -175.36 2.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.4 m -154.71 168.8 25.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 p -68.99 82.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -168.04 143.72 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.79 96.11 1.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -91.7 78.89 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -93.39 115.16 27.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 -83.05 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ALA . 22.9 t -174.93 149.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -37.19 -64.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -43.02 -49.56 6.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.99 -41.65 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 9' ' ' ALA . 65.7 mt -59.49 -56.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -51.6 -52.95 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -49.6 -51.28 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -51.69 -48.5 63.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 66' ' ' TYR . 90.5 t -44.64 -49.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.68 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.83 -56.89 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -44.2 -57.35 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.8 mt -50.61 -61.41 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -52.65 -33.33 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.76 -47.17 86.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -69.14 -50.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.9 mt -64.52 -18.36 64.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 7.0 mmt -77.07 -44.73 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -83.32 -21.96 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -78.79 -26.1 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 29' ' ' THR . 1.8 pp -89.64 -42.24 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.706 ' N ' HD12 ' A' ' 28' ' ' LEU . 14.4 t -60.63 -35.42 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.33 -43.51 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -79.6 175.79 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -84.1 61.4 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.4 108.6 17.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -85.79 21.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.0 149.97 90.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.96 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -66.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.85 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.89 -67.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -39.64 -56.8 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 85' ' ' VAL . 78.7 t -50.02 -54.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -53.09 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -47.85 -32.26 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 1.3 mptp? -77.38 -52.13 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.9 mm -36.78 -56.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.08 -32.26 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 22.3 tttp -60.76 -38.51 85.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.94 -42.35 12.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.5 tp -52.94 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -54.75 -45.28 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 m -64.56 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.76 -55.32 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 71.5 m-85 -76.65 -18.9 58.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.7 mtt180 52.84 28.54 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.2 m-20 -175.02 171.4 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 63.5 p -110.74 27.94 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.81 -175.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.24 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -66.56 -29.61 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.435 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 24.9 t80 -72.02 -49.01 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -70.62 -45.75 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -45.97 -39.0 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HD2' HD21 ' A' ' 69' ' ' LEU . 1.1 tppm? -73.52 -42.68 61.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.673 ' CD1' HG13 ' A' ' 16' ' ' VAL . 2.3 t80 -59.71 -51.56 69.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 6.2 ppt_? -66.08 -10.48 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -92.66 -53.93 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.5 mt -48.45 -36.73 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.772 ' HA ' HD12 ' A' ' 73' ' ' LEU . 17.9 ptm -88.99 -18.48 27.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.33 -32.13 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.78 -29.71 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 70' ' ' MET . 51.2 mt -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -87.77 -3.69 58.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -81.07 126.65 76.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.816 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.36 37.36 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.55 -40.47 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 12.2 t-20 -107.49 84.98 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -96.94 44.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.654 HG22 ' CG ' ' A' ' 84' ' ' LYS . 2.9 mt -127.27 -55.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' LYS . 8.7 tp -32.17 -69.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.1 p90 -36.89 -40.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ILE . 32.4 tttm -77.79 -38.65 46.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.654 ' CG ' HG22 ' A' ' 80' ' ' ILE . 14.6 mtpp -60.55 -36.92 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 43' ' ' VAL . 40.1 t -76.08 -47.38 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.656 ' CD1' HD22 ' A' ' 24' ' ' LEU . 6.8 mp -61.89 -48.88 78.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -62.64 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.3 -6.84 5.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CD1' ' A' ' 111' ' ' TRP . 5.2 mm-40 -54.75 -55.69 27.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.595 HG22 ' CH2' ' A' ' 111' ' ' TRP . 63.3 t -100.6 122.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.36 146.04 88.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.02 19.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -106.19 -18.99 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -92.91 -35.09 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -44.48 -24.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.68 -38.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -75.34 -15.66 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 37.8 mmm -68.53 149.03 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 p -84.37 158.71 60.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.672 0.749 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.1 Cg_endo -69.75 -7.33 20.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -101.16 -20.34 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -90.75 -28.21 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 100' ' ' PRO . 41.3 mt -57.11 -22.73 41.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.459 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . . . -87.97 -31.88 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -48.52 129.41 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.504 ' CB ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -132.18 49.07 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -28.2 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 80' ' ' ILE . 6.8 mp 48.39 28.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.53 -10.94 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.46 -42.45 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.595 ' CH2' HG22 ' A' ' 90' ' ' VAL . 44.3 m95 -48.01 124.62 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -51.02 165.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -93.46 136.19 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLY . 3.8 mmp_? -117.57 135.07 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 117' ' ' PRO . 32.1 p -52.66 88.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 114' ' ' ARG . . . -106.61 84.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 115' ' ' SER . 54.0 Cg_endo -69.71 140.88 43.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.7 t -104.11 134.13 47.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.9 t -154.4 170.85 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.48 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p 43.94 41.93 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -119.48 111.8 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.88 122.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -102.33 -45.05 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -71.64 115.64 11.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.72 104.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -104.35 163.62 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.59 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.14 -35.78 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.2 -39.01 93.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.67 -69.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' NH1' ' CE2' ' A' ' 52' ' ' PHE . 8.7 ptt180 -47.38 -37.43 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.3 -42.28 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 t -65.99 -40.55 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -46.22 -44.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -47.38 -65.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.32 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -40.04 -57.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.05 -54.31 31.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -50.87 -38.71 51.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.27 -50.2 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.1 mt -66.71 -54.25 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 28' ' ' LEU . 55.5 mt -61.29 -12.79 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.21 -43.67 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.29 -22.78 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 13.9 mmm180 -80.27 -28.17 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -86.77 -37.06 18.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -72.44 -22.91 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -92.15 -43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -67.04 -178.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -85.61 31.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -94.04 147.29 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -125.94 13.19 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.29 147.78 86.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.595 0.712 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.21 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.97 -36.17 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -50.87 -54.64 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.68 -53.41 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.79 -56.71 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.38 -65.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 32.6 mttm -35.47 -59.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.958 HG11 ' CG1' ' A' ' 85' ' ' VAL . 90.4 t -52.84 -52.43 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.82 66.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -63.9 -30.61 71.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -73.98 -41.48 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.7 mm -40.83 -61.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -63.4 -45.68 89.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -44.31 -38.45 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.52 -43.22 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 62' ' ' TYR . 7.6 tp -58.38 -61.95 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' NH1' ' A' ' 13' ' ' ARG . 71.5 t80 -52.09 -26.34 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -82.16 -28.4 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 6.0 t80 -80.87 -50.8 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.82 -17.0 56.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 49.39 31.5 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -173.94 158.0 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 p -116.15 39.98 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -89.18 -175.21 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.84 -63.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' TYR . 16.7 mttm -40.31 -63.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.4 t80 -36.72 -58.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASN . 50.4 mttt -59.22 -51.49 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LYS . 50.1 t30 -35.74 -43.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' CG ' HD11 ' A' ' 51' ' ' LEU . 13.9 tppt? -71.22 -52.92 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.03 -59.22 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 3.9 ptm85 -50.26 -27.06 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -81.45 -28.39 34.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD22 HD23 ' A' ' 95' ' ' LEU . 84.1 mt -80.36 -39.29 28.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.667 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ppp? -86.39 -17.48 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 2.7 t80 -65.31 -43.43 91.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -75.11 -26.67 59.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 70' ' ' MET . 65.9 mt -58.84 -43.96 90.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' CE ' ' SD ' ' A' ' 70' ' ' MET . 12.3 ptpt -79.81 -27.53 40.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 m-20 -52.82 131.9 47.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.492 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 54.3 Cg_endo -69.69 -31.08 21.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.24 -23.64 66.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -112.68 90.95 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -111.42 41.58 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -125.21 -60.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 103' ' ' LEU . 10.0 tp -41.26 -62.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 27' ' ' ARG . 2.5 p90 -40.44 -32.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' LYS . 28.5 ttmt -86.25 -64.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HB3' HG23 ' A' ' 90' ' ' VAL . 28.5 mmtt -34.37 -38.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.958 ' CG1' HG11 ' A' ' 43' ' ' VAL . 76.8 t -67.37 -51.19 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.1 mp -65.74 -51.18 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -56.58 -42.8 79.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.88 10.91 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LYS . 68.4 mm-40 -80.11 -45.25 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.721 HG22 ' CH2' ' A' ' 111' ' ' TRP . 21.4 t -104.91 121.47 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.29 155.12 82.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -39.58 6.22 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.58 -29.91 69.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 97' ' ' ARG . 14.9 t60 -81.44 -40.47 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 HD22 ' A' ' 69' ' ' LEU . 2.1 tt -39.77 -26.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.513 HG21 HD12 ' A' ' 51' ' ' LEU . 10.0 mt -83.64 -41.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' HIS . 76.0 mtp180 -66.66 -26.54 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.1 mtp -55.36 158.2 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -87.3 156.61 54.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.76 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -109.66 -27.36 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' SER . 15.3 mm-40 -78.83 -36.61 42.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt -44.44 -29.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.69 -28.24 20.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 23.2 t -40.9 141.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -114.59 51.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -122.09 145.33 48.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -108.51 -21.84 12.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -11.34 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.22 68.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.721 ' CH2' HG22 ' A' ' 90' ' ' VAL . 13.0 m95 -55.1 135.45 49.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -58.57 125.63 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -96.53 128.27 43.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -42.85 -49.85 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 m -109.38 105.22 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.81 91.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.97 13.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.5 t -66.87 117.37 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 m -141.91 178.07 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -159.77 108.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 94.02 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -67.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -49.92 143.39 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -98.41 -55.55 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 -139.4 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -94.76 83.5 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -73.27 -42.9 61.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -36.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -74.13 -36.89 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.8 mm -45.6 -50.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.53 -53.98 23.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -43.86 -47.55 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -51.79 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.2 t -45.64 -49.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' HIS . 43.9 mtm180 -48.84 -70.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -37.21 -58.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -44.98 -64.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.95 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.2 ttpt -50.48 -35.73 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.28 -46.64 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.2 mt -71.01 -55.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 mt -61.19 -9.45 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.7 mmt -82.12 -40.78 21.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -20.16 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -81.31 -32.78 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -79.26 -40.07 31.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.7 t -69.94 -22.26 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -81.04 -37.29 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -85.05 -177.51 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -94.36 30.13 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 35' ' ' VAL . 11.3 mt -70.84 -38.04 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttm 47.65 38.59 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 33' ' ' LEU . 6.4 m -89.34 148.75 41.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.15 47.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -41.19 -36.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -49.6 -58.44 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' NZ ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -38.47 -66.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.92 -57.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.93 -64.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.4 mtmt -33.8 -52.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.69 -59.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.08 -37.89 35.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.9 m -59.27 -36.83 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -37.24 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -41.23 -57.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.726 ' CD ' HG11 ' A' ' 16' ' ' VAL . 4.7 mm-40 -72.48 -26.89 61.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -57.99 -40.85 81.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -89.62 -37.62 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.7 tp -57.04 -48.79 77.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.34 -24.74 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.8 t -85.17 -21.97 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -82.4 -49.74 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -85.5 -30.05 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 63.99 30.54 14.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.44 163.97 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -112.42 50.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -95.85 -175.7 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.09 57.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -67.91 -21.61 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.4 t80 -82.26 -50.56 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -71.45 -51.65 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -38.61 -41.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -72.78 -43.62 62.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.4 t80 -53.39 -52.64 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 2.6 ptm85 -64.77 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -65.69 -36.92 85.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 96' ' ' ILE . 43.5 mt -80.8 -39.31 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.45 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.4 ppp? -78.3 -13.58 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.31 -44.04 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -68.56 -20.44 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 70' ' ' MET . 62.2 mt -70.69 -46.93 62.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -73.79 -29.64 62.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.2 129.94 12.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.88 23.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -10.31 59.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -124.81 92.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -111.07 2.57 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 ' HE2' ' A' ' 84' ' ' LYS . 57.9 mt -95.24 -33.98 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.866 HD21 HD22 ' A' ' 103' ' ' LEU . 8.2 tp -57.56 -59.58 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -49.04 -34.76 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 31.1 mttt -73.57 -68.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.469 ' HE2' HG22 ' A' ' 80' ' ' ILE . 41.3 mtmt -34.26 -40.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.4 -53.17 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.3 mp -61.01 -52.42 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -57.54 -35.86 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 125.69 -28.99 4.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 19.8 mm-40 -34.94 -43.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -117.2 112.17 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -68.1 149.95 97.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.569 0.699 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.98 35.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -100.68 -4.05 29.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -110.35 -32.05 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.35 -24.84 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.8 mt -80.21 -42.6 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.16 -19.23 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 mtm -75.91 134.48 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 156.4 38.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -19.11 36.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -89.18 -16.2 31.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.78 -16.94 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.866 HD22 HD21 ' A' ' 81' ' ' LEU . 71.0 mt -65.12 -29.25 70.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -92.25 -43.95 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 104' ' ' ALA . 8.3 t -34.76 98.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -81.99 71.58 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.23 123.75 40.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 110' ' ' ALA . 3.4 tp -66.51 -60.07 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.38 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -43.2 -51.33 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.435 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 15.8 m95 -77.84 142.88 38.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -76.1 -61.11 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -108.67 152.54 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -110.92 81.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 p -75.32 138.98 42.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.93 146.23 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 87.85 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 p -115.24 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.4 t 70.44 42.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -85.48 130.92 34.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -106.48 114.72 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.61 -107.36 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -103.58 45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -83.49 96.4 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.51 -96.79 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -62.6 149.04 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.45 -58.09 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.0 -54.83 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -55.7 -52.98 62.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.22 -57.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -56.63 -49.88 73.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -44.31 -54.39 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -53.33 -42.3 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.8 t -54.96 -55.56 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -52.54 -63.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -47.16 -61.09 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -43.63 -59.25 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD12 ' OE2' ' A' ' 48' ' ' GLU . 37.6 mt -46.53 -54.68 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -58.75 -36.41 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -55.17 -45.92 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 HD11 ' HE2' ' A' ' 70' ' ' MET . 55.8 mt -67.22 -62.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 86' ' ' LEU . 31.8 mt -48.86 -22.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 mmt -75.24 -45.18 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -12.4 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 15.6 mmm180 -94.22 -39.64 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.687 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.2 pp -77.62 -40.77 40.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.6 t -68.63 -18.84 64.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.46 -30.19 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m -90.15 -177.56 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -81.4 46.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD13 HD22 ' A' ' 86' ' ' LEU . 6.2 mt -105.85 -65.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 57.29 31.54 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 28' ' ' LEU . 21.7 m -75.59 151.42 84.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -38.07 -37.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -50.29 -48.02 55.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.17 -60.82 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.51 -58.11 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -51.92 -66.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.2 mtpm? -34.08 -56.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.912 HG11 ' CG1' ' A' ' 85' ' ' VAL . 89.9 t -55.09 -56.4 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.1 -48.09 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.3 m -55.38 -33.75 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -43.69 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -37.95 -58.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.678 ' OE2' HD12 ' A' ' 20' ' ' LEU . 15.9 mp0 -65.25 -38.58 90.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -49.31 -36.08 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' OE1' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -86.89 -49.56 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.718 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -51.62 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -42.4 -37.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -81.15 -27.46 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 51' ' ' LEU . 49.1 t80 -69.75 -45.71 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -93.98 -27.13 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 61.51 35.18 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -174.89 152.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 p -111.15 56.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -111.6 -179.5 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.29 -54.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -48.35 -43.27 33.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.718 ' CE1' HD23 ' A' ' 51' ' ' LEU . 46.4 t80 -56.96 -67.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . 23.8 mttt -51.95 -53.9 35.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . 21.9 t30 -34.44 -45.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -75.81 -53.81 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.424 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -43.11 -49.73 6.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 12.1 ptt180 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.2 t -64.46 -35.5 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 51' ' ' LEU . 45.1 mt -58.4 -48.59 80.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' LEU . 10.6 ptm -83.51 -26.67 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -43.67 -36.5 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 78' ' ' ASN . 10.3 m-80 -91.77 -27.53 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' MET . 91.0 mt -66.34 -43.31 86.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -28.69 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.45 141.29 93.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.8 Cg_endo -69.8 -50.44 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -28.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 6.3 m-20 -116.94 86.41 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 18.3 p30 -105.56 36.49 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 84' ' ' LYS . 10.1 mm -130.82 -56.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.555 HD21 HD22 ' A' ' 103' ' ' LEU . 12.6 tp -33.5 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.76 ' O ' HD13 ' A' ' 86' ' ' LEU . 10.3 p90 -44.48 -41.1 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HG3' HD11 ' A' ' 33' ' ' LEU . 22.1 ttmt -68.48 -57.7 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 80' ' ' ILE . 4.5 mmpt? -35.86 -53.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.912 ' CG1' HG11 ' A' ' 43' ' ' VAL . 37.5 t -56.78 -44.15 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 33' ' ' LEU . 10.5 mp -65.37 -56.12 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -55.72 -52.3 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.81 27.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -99.71 -48.24 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.575 ' CG2' ' CH2' ' A' ' 111' ' ' TRP . 4.5 t -100.66 116.73 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.2 p -66.81 146.87 99.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.709 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.31 37.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.46 -39.53 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ARG . 21.6 t60 -71.91 -39.12 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.451 HD12 HG21 ' A' ' 85' ' ' VAL . 2.5 tt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.457 HD12 ' OE1' ' A' ' 50' ' ' GLU . 20.2 mt -74.83 -46.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' HIS . 62.9 mtp180 -79.48 -8.11 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 mtp -57.41 133.67 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -64.53 161.32 44.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -9.34 25.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -102.09 -23.63 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.72 -42.1 29.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 81' ' ' LEU . 80.8 mt -44.3 -26.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.97 -28.24 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 m -40.06 108.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 107' ' ' GLU . 26.2 ttpt -99.42 -54.57 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' LYS . 18.2 mm-40 -35.04 140.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.77 -56.66 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.46 -36.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.68 -50.76 31.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.575 ' CH2' ' CG2' ' A' ' 90' ' ' VAL . 14.0 m95 -50.34 -64.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -143.87 157.85 44.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 114' ' ' ARG . 8.3 tpt180 72.64 33.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 113' ' ' ARG . 54.5 mtp180 -37.32 153.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.6 t -49.05 151.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.4 -94.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 90.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -157.72 156.78 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.8 m -79.74 127.58 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -63.54 91.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -153.0 161.83 42.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.29 85.77 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -73.35 87.72 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 m 63.7 35.61 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.82 -5.87 10.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -118.69 51.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . . . -133.19 -41.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.3 t0 -34.94 -42.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.91 -52.69 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.2 -50.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -60.35 -41.69 94.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -54.24 -53.65 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.8 m -54.56 -43.93 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.598 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.2 t -47.49 -43.39 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtt85 -57.9 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -46.57 -50.9 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -50.54 -54.58 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.06 -51.32 69.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.8 ttpt -60.76 -30.38 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.39 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.34 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -51.42 -17.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.8 mmt -78.45 -53.89 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.64 -17.17 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -85.96 -32.86 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -83.08 -41.83 18.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -58.7 -36.78 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.17 -7.23 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LEU . 24.2 m -103.11 31.8 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 39.34 26.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.5 mt -74.72 113.47 12.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -86.66 38.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.75 149.35 40.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.72 51.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -47.81 -35.15 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -56.34 -42.41 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.87 -55.8 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -46.88 -67.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 47.2 mttt -37.36 -55.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.71 -52.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.56 69.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.3 m -50.45 -25.59 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 23.2 mttt -85.41 -45.38 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LYS . 32.9 mm -37.45 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.0 -55.55 21.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . 62.5 tttm -36.79 -35.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.82 -37.44 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD23 ' CE1' ' A' ' 62' ' ' TYR . 3.0 tp -64.45 -59.31 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ARG . 33.9 t80 -50.82 -43.92 59.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -66.14 -51.63 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -45.63 -65.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -71.98 -43.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 16.6 ttt180 72.12 30.55 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -171.12 148.73 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.4 p -99.81 57.55 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -103.14 -178.73 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.64 -46.32 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -52.83 -59.57 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.831 ' CE1' HD23 ' A' ' 51' ' ' LEU . 79.4 t80 -49.61 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -44.82 -47.8 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.15 -50.04 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 51' ' ' LEU . 17.1 tppt? -60.03 -36.43 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -65.69 -61.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -12.1 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -88.12 -38.44 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 16.5 mt -64.36 -50.64 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.0 ptm -71.43 -33.86 69.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -42.43 -40.92 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -82.98 -32.28 27.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 70' ' ' MET . 34.5 mt -57.69 -49.68 75.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -68.03 -29.25 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.0 t0 -36.87 119.7 0.78 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.84 28.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.286 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -8.09 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -115.37 90.52 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.25 47.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.529 HG22 ' HG3' ' A' ' 84' ' ' LYS . 24.4 mt -132.2 -58.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.594 HD12 ' NZ ' ' A' ' 84' ' ' LYS . 6.5 tp -34.6 -68.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' O ' HD13 ' A' ' 86' ' ' LEU . 9.6 p90 -41.77 -44.3 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 23.3 ttmt -65.24 -46.69 79.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.594 ' NZ ' HD12 ' A' ' 81' ' ' LEU . 9.1 mtmp? -59.74 -41.09 90.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.0 -56.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 24' ' ' LEU . 7.6 mp -56.56 -51.41 68.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -57.47 -50.43 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.46 -18.49 2.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.08 -34.2 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.37 149.69 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.18 153.07 38.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -13.26 34.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -91.59 -45.38 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -70.81 -33.07 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.0 tp -43.21 -31.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.9 mt -72.49 -49.74 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -56.52 -29.54 61.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 47.0 mmm -52.4 152.18 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -81.69 152.56 69.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.35 -17.23 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.08 -45.27 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.6 mt -41.57 -34.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -87.81 -37.64 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' ALA . 13.9 t -36.45 134.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -100.11 60.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -129.42 140.76 51.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -123.33 -27.63 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.98 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' TRP . . . -45.95 -57.13 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ALA . 15.3 m95 -35.8 141.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -74.53 -46.47 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -103.35 168.89 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -162.73 166.47 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 p -50.48 150.42 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -51.66 166.88 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.59 13.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.354 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.0 p -62.86 137.75 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.0 p -134.92 108.5 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -99.14 130.71 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -104.57 -45.3 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.86 -124.97 6.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -134.05 120.81 20.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -112.14 127.55 55.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.48 -110.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -43.13 148.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.73 94.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 -43.33 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.44 -51.1 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -50.6 -59.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -53.52 -50.18 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -50.91 -52.31 43.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -50.95 -46.11 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.732 HG13 ' CD1' ' A' ' 66' ' ' TYR . 95.1 t -45.94 -49.07 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 24.3 mtm180 -52.61 -68.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' SER . 56.0 t-80 -53.21 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.449 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 2.2 m -36.48 -52.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.93 -59.43 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 41' ' ' ALA . 9.8 ttmt -47.57 -50.28 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.5 t0 -34.39 -53.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 45.5 mt -63.74 -61.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 86' ' ' LEU . 56.2 mt -54.09 -17.13 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 4.9 mmt -79.7 -43.95 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.03 -19.37 34.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -84.25 -39.14 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -75.12 -32.23 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.5 t -77.76 -18.1 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 -41.15 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -71.61 179.79 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.98 38.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 83' ' ' LYS . 24.2 mt -106.71 125.33 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 50.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 28' ' ' LEU . 4.5 m -92.06 147.52 34.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 168.84 20.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -68.78 -25.33 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.36 -35.04 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -47.39 -69.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -54.2 -61.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . . . -35.56 -49.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 32.4 mttm -59.47 -52.2 66.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 39' ' ' LYS . 40.9 t -52.66 -58.58 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' ARG . . . -49.98 -48.69 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -56.97 -34.99 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 50' ' ' GLU . 3.1 mptp? -70.14 -50.51 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.574 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.1 mm -45.23 -51.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.09 -22.64 64.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -73.85 -49.22 26.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 46' ' ' LYS . 2.0 pm0 -78.16 -50.73 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.723 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.0 tp -44.68 -59.93 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.59 -42.58 56.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.9 t -70.57 -29.25 65.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.29 -67.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 76.7 m-85 -78.1 -31.35 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 63.44 32.45 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -174.19 132.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.1 p -75.72 56.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -98.38 176.11 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -29.44 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -31.35 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.723 ' CE1' HD23 ' A' ' 51' ' ' LEU . 9.0 t80 -79.83 -45.2 19.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -40.64 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.98 -35.2 61.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HG3' HD11 ' A' ' 51' ' ' LEU . 13.5 tppt? -76.94 -44.32 31.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.732 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.2 t80 -56.48 -55.06 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -62.04 -30.7 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' PHE . 3.6 m -70.3 -61.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.45 -40.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.63 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ptm -88.42 -24.41 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' SER . 68.2 t80 -47.15 -45.87 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 10.3 m-80 -81.54 -40.91 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 70' ' ' MET . 82.5 mt -51.14 -54.43 25.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -60.33 -11.88 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 t70 -72.57 140.02 81.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.7 -5.47 16.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -95.54 -40.76 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.41 78.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.592 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 34.9 m-80 -96.75 -33.94 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.44 HG22 ' HG3' ' A' ' 84' ' ' LYS . 39.5 mt -78.91 -31.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 103' ' ' LEU . 10.3 tp -53.02 -65.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 79' ' ' ASN . 2.8 p90 -56.23 -50.03 72.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.684 ' HG3' HD11 ' A' ' 33' ' ' LEU . 13.4 ttmt -55.03 -35.44 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 80' ' ' ILE . 28.6 mtmt -70.01 -44.37 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 81' ' ' LEU . 21.4 t -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 24' ' ' LEU . 9.6 mp -74.77 -53.58 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HE3' HD21 ' A' ' 33' ' ' LEU . 16.5 mmtp -56.0 -37.15 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 132.71 -28.25 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.6 mm-40 -34.6 -56.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.03 136.72 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.52 156.0 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HB2' HD13 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.72 -10.59 28.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.43 -37.02 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -84.12 -24.45 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -52.24 -21.68 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.12 -51.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -57.32 -21.4 34.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.4 mtp -49.28 154.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -99.27 156.6 35.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -26.34 27.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.67 -18.32 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' SER . 64.2 mm-40 -90.75 -41.87 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 81' ' ' LEU . 52.8 mt -43.35 -28.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.82 -36.9 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 102' ' ' GLU . 15.8 p -39.41 150.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 107' ' ' GLU . 6.8 ttpm? -116.88 -38.15 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 106' ' ' LYS . 1.3 mp0 -35.23 134.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' ALA . 12.8 mt -98.55 -52.03 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.11 -27.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -43.37 -49.4 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.427 ' HE1' ' CD ' ' A' ' 84' ' ' LYS . 25.7 m95 -49.74 153.49 1.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -61.79 -41.2 97.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -59.08 109.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.19 120.79 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -65.37 110.94 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.32 171.96 35.47 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -38.01 8.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -50.7 -51.0 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.2 m -109.42 125.91 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -83.13 148.91 27.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -135.49 139.74 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.21 91.81 2.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -144.45 168.32 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 77.8 p -100.63 93.21 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.91 73.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -102.45 38.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 12' ' ' ILE . . . -88.95 -40.23 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -38.02 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -74.55 -30.79 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.5 mm -49.72 -60.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.78 96.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -49.71 -53.59 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -56.87 -46.32 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 12' ' ' ILE . 46.8 t -50.72 -42.64 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.38 -67.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -45.78 -33.76 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.9 m -67.9 -64.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 52.4 mt -48.17 -47.2 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 20.1 ttpt -56.0 -56.26 22.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.5 t70 -34.74 -60.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 mt -49.7 -63.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -48.95 -33.56 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.431 ' CE ' ' HG3' ' A' ' 37' ' ' GLU . 12.0 mtp -71.3 -67.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -24.57 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.02 -57.25 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -56.13 -39.32 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -63.15 -28.75 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.58 -54.9 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -56.66 -177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -98.64 59.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.74 ' HB3' HG13 ' A' ' 35' ' ' VAL . 17.3 mt -106.63 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.4 32.36 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' LEU . 10.4 m -81.71 148.31 61.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 144.58 54.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.411 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 10.1 tt0 -43.17 -46.62 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -43.4 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.38 -53.27 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.17 62.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.2 mttt -53.42 -54.54 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.66 -57.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.99 -43.92 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -61.61 -31.38 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mptm? -76.63 -44.42 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -37.24 -74.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 mp0 -46.8 -56.71 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 21.7 tttt -34.7 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.5 tp10 -92.5 -51.25 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 62' ' ' TYR . 9.0 tp -50.22 -59.66 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.29 -25.54 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -85.71 -15.31 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -94.76 -38.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -90.1 -38.11 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.8 mtt85 60.91 32.15 20.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -171.07 118.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -80.43 55.35 2.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -106.12 -178.46 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -37.1 -65.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.5 mtpt -36.38 -63.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 51' ' ' LEU . 44.7 t80 -39.09 -51.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -65.15 -45.04 86.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -44.36 -47.77 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.669 ' HD2' HD21 ' A' ' 69' ' ' LEU . 15.6 tppt? -71.2 -54.96 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -44.52 -54.9 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 68' ' ' SER . 7.4 ptm180 -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 39.3 m -76.62 -24.08 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.9 mt -75.31 -42.74 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.883 ' HA ' HD12 ' A' ' 73' ' ' LEU . 11.6 ptm -87.94 -24.71 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 26.2 t80 -54.54 -34.41 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -89.44 -28.83 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 70' ' ' MET . 40.2 mt -62.03 -36.43 81.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 10.8 ptmm? -83.73 -30.09 26.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.8 t0 -36.98 120.28 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.94 29.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -97.15 -18.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 78' ' ' ASN . 7.0 t30 -89.32 -75.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 40.58 41.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.631 HG22 ' CD ' ' A' ' 84' ' ' LYS . 2.4 mm -129.32 -49.5 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 103' ' ' LEU . 8.4 tp -56.72 -52.31 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.512 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -48.32 -41.29 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 15.5 ttmt -76.83 -37.35 55.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.631 ' CD ' HG22 ' A' ' 80' ' ' ILE . 14.1 mtpt -57.47 -53.96 52.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.513 HG21 HD12 ' A' ' 95' ' ' LEU . 25.4 t -59.81 -49.02 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 82' ' ' PHE . 3.9 mp -57.56 -58.17 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -55.93 -31.4 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.97 -23.11 6.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.67 -66.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 91' ' ' THR . 15.9 t -92.59 155.87 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 17.9 p -103.09 150.02 37.46 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.37 25.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 -44.35 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 95' ' ' LEU . 33.6 t60 -70.2 -36.55 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.513 HD12 HG21 ' A' ' 85' ' ' VAL . 4.4 tt -37.21 -40.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.77 -49.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -57.3 -21.89 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.8 mtp -64.47 163.66 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -99.16 159.61 29.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.631 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.5 Cg_endo -69.73 0.86 5.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -107.83 -33.3 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.04 -41.72 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 100' ' ' PRO . 13.5 mt -40.84 -41.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -84.89 -40.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ALA . 36.7 m -34.47 143.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -110.86 57.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -96.91 102.32 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.94 -50.56 10.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.55 -35.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -46.36 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 84' ' ' LYS . 9.5 m95 -57.38 147.58 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttm105 -87.68 49.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -146.51 144.16 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.96 157.68 38.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t -77.06 -60.05 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.78 174.77 18.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 98.05 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.6 m -162.83 173.78 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -151.96 114.46 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB1' HH21 ' A' ' 13' ' ' ARG . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.749 0.309 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.03 -50.98 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -46.74 -61.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.786 ' O ' HG23 ' A' ' 16' ' ' VAL . 79.2 mt -41.02 -53.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 52' ' ' PHE . 31.6 mtt180 -61.33 -47.83 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -51.48 -59.9 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -49.02 -49.66 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 12' ' ' ILE . 95.6 t -43.44 -43.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -54.56 -65.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -52.15 -58.48 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m -39.62 -53.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.08 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -42.0 -36.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.82 -52.19 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mt -61.24 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.62 HD22 HD11 ' A' ' 86' ' ' LEU . 30.6 mt -57.66 -12.04 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 2.8 mmt -90.89 -51.22 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -17.52 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -89.08 -56.66 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.752 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -57.66 -41.75 82.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.551 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.0 t -58.3 -29.21 65.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.9 -11.27 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -97.46 23.5 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m120 45.2 26.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.8 mt -71.17 116.74 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -84.44 37.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.25 147.93 38.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.64 35.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG3' ' HE3' ' A' ' 25' ' ' MET . 27.1 tt0 -44.22 -31.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.78 -39.86 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.53 -66.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.08 -52.26 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.9 -67.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -38.25 -57.93 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 39' ' ' LYS . 72.0 t -48.45 -52.5 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.38 -66.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.9 m -42.82 -33.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' ILE . 13.8 mmtm -71.36 -48.61 49.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.4 mm -36.83 -48.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' OE2' HG12 ' A' ' 16' ' ' VAL . 8.2 mp0 -67.5 -45.49 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -54.58 -27.51 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 96' ' ' ILE . 4.0 mm-40 -93.44 -41.21 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -66.07 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 13' ' ' ARG . 38.3 t80 -45.28 -28.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 t -78.85 -67.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -44.35 -37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.59 -37.48 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 60.77 26.03 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -166.56 153.56 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.3 p -110.23 55.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' ALA . 4.1 t70 -99.99 175.07 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -37.55 -57.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -44.44 -58.53 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CE1' HD23 ' A' ' 51' ' ' LEU . 40.4 t80 -41.53 -48.06 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -68.73 -41.41 79.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -51.2 -45.57 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CG ' HD11 ' A' ' 51' ' ' LEU . 8.2 tppt? -68.4 -43.95 76.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.9 t80 -58.46 -56.99 15.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -60.7 -17.15 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -88.39 -19.23 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.9 mt -86.38 -48.53 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.817 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.4 ptm -76.09 -19.38 58.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.05 -38.44 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -77.83 -6.92 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.4 mt -91.0 -44.34 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 8.0 t70 -43.04 139.97 2.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -34.31 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.75 -48.61 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -79.46 104.68 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -123.98 20.65 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.76 -35.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 81' ' ' LEU . 9.7 tp -45.78 -61.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.946 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.9 p90 -50.3 -27.92 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 22.9 mttt -85.05 -30.21 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -64.0 -55.56 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.13 -45.55 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.6 mp -60.79 -58.12 9.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -55.96 -40.84 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.07 -18.53 4.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -42.14 -51.05 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.02 151.09 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.02 152.91 37.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.11 20.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -98.89 -45.35 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -73.84 -32.59 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -46.19 -28.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 50' ' ' GLU . 12.9 mt -76.19 -38.77 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 9.0 mtp-105 -71.59 -19.63 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.4 mtp -59.92 125.83 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -65.47 158.23 74.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -11.52 31.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -98.94 -12.33 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.57 -38.61 11.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 100' ' ' PRO . 9.7 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.31 -48.48 76.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.32 -51.56 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' ALA . 78.9 mt -43.52 -58.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.4 -47.36 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.76 -57.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -52.94 -43.85 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 66' ' ' TYR . 55.2 t -52.31 -51.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -47.98 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -40.74 -45.33 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 m -57.28 -50.24 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 48' ' ' GLU . 61.8 mt -58.58 -45.06 89.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 22.9 ttpp -66.27 -33.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.48 -56.44 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.412 HD11 ' NZ ' ' A' ' 74' ' ' LYS . 50.6 mt -58.43 -65.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD11 ' A' ' 86' ' ' LEU . 14.4 mt -47.45 -36.5 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.443 ' HE1' ' HA ' ' A' ' 37' ' ' GLU . 9.1 mmt -61.01 -34.92 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HA ' HG22 ' A' ' 29' ' ' THR . 1.3 tmtm? -86.88 -26.59 23.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -78.17 -25.71 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -84.75 -34.03 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 26' ' ' LYS . 14.6 t -79.11 -29.88 43.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -34.47 57.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -88.17 -176.05 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -88.26 45.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 83' ' ' LYS . 11.3 mt -103.32 129.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -105.93 11.88 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.6 149.18 31.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 157.92 58.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 29.9 tt0 -64.23 -21.75 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.94 -24.88 59.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE2' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -55.57 -58.52 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.0 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -52.97 -56.82 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -48.87 -47.0 43.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' HE2' ' A' ' 39' ' ' LYS . 40.3 t -59.34 -62.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.82 -49.91 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -54.86 -36.84 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -75.21 -14.68 60.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.498 HD13 ' CB ' ' A' ' 92' ' ' PRO . 30.4 mm -76.06 -53.38 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.7 -48.94 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -46.77 -31.89 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 93' ' ' ASP . 20.8 tp10 -92.44 -42.94 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.1 tp -56.27 -61.4 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -49.52 -31.31 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -74.61 -63.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -43.84 -54.08 5.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.14 -38.69 60.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 70.91 25.86 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -168.96 164.82 11.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -122.44 56.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' TYR . 12.1 p-10 -113.6 -173.88 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.89 -51.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -55.69 -39.24 70.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.6 t80 -64.67 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -51.87 -48.87 63.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.75 -51.01 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 69' ' ' LEU . 14.1 tppt? -66.03 -43.33 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.6 t80 -58.78 -62.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 4.2 ptp180 -55.1 -20.5 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -81.27 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.9 mt -41.64 -36.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.8 ptm -87.06 -32.71 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -39.26 -38.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 2.7 m-80 -84.61 -35.35 22.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 70' ' ' MET . 56.4 mt -57.71 -47.99 80.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' NZ ' HD11 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -68.8 -15.07 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.45 138.93 96.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -21.35 33.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -81.19 -44.43 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 72' ' ' ASN . 23.9 m120 -68.53 84.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 2.3 p30 -105.65 -5.4 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' HZ3' ' A' ' 84' ' ' LYS . 16.7 mt -101.3 -42.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 84' ' ' LYS . 11.6 tp -51.57 -61.77 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.5 p90 -49.82 -20.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 20.3 mttm -90.29 -33.09 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.712 ' HE2' HD12 ' A' ' 81' ' ' LEU . 33.0 mtmm -70.21 -37.87 75.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.22 -40.63 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -70.9 -56.28 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -56.27 -49.37 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 141.5 -26.26 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLY . 32.5 mt-10 -36.08 -37.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.58 124.76 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 p -76.03 150.42 83.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.498 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.77 -30.03 22.86 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' HG2' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.0 -22.99 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' ARG . 33.5 t60 -90.17 -31.71 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' HD13 ' A' ' 69' ' ' LEU . 44.6 tp -46.69 -20.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.23 -34.07 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' HIS . 52.2 mtt85 -74.89 -22.33 58.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 36.8 mtp -58.56 158.94 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -85.04 151.15 56.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.5 Cg_endo -69.77 -16.1 37.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.44 -11.36 25.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.22 -29.16 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 100' ' ' PRO . 7.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.15 -42.21 99.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -28.89 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 16' ' ' VAL . 92.9 mt -63.56 -73.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -47.23 -32.91 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.43 -65.55 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -46.49 -35.29 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 12' ' ' ILE . 72.0 t -49.7 -59.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 20.9 mtm180 -36.24 -65.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -38.68 -53.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' ASP . 1.3 t -52.32 -67.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD12 ' OE1' ' A' ' 48' ' ' GLU . 63.6 mt -38.72 -45.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.37 -38.8 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' SER . 9.3 t0 -54.29 -49.85 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 48.1 mt -64.28 -60.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 86' ' ' LEU . 13.8 mt -53.53 -28.74 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 mmt -68.56 -31.36 70.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -91.96 -33.63 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 19.8 mmm180 -71.14 -24.64 62.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -90.96 -32.81 15.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -75.32 -26.69 58.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -84.19 -36.41 22.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.5 p -77.45 -176.26 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -88.71 40.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.03 129.93 46.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -106.99 20.19 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -64.45 149.0 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.45 27.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.06 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.34 -33.52 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.57 -51.11 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -54.98 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.7 mttp -35.26 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.562 HG11 ' CG1' ' A' ' 85' ' ' VAL . 43.2 t -61.53 -59.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.98 -43.79 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ILE . 7.4 mmtp -81.61 -47.46 13.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LYS . 8.5 mm -36.9 -69.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.65 -40.28 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -56.69 -38.01 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HB2' HD11 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -83.19 -41.72 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.9 tp -64.37 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -56.87 -32.58 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.1 t -78.44 -22.67 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -81.01 -45.72 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.18 -19.64 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 54.62 26.84 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 58' ' ' THR . 65.9 t0 -173.38 142.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 p -93.48 55.31 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -98.15 -175.14 3.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.13 -41.49 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -59.99 -20.06 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.851 ' CE2' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -91.41 -46.15 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.93 -48.91 79.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -47.01 -47.56 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' HD11 ' A' ' 51' ' ' LEU . 11.8 tppt? -65.55 -40.04 92.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -56.78 -64.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 67' ' ' ARG . 1.5 ptp180 -51.75 -35.76 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 t -63.81 -35.91 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD22 ' HG ' ' A' ' 95' ' ' LEU . 16.2 mt -65.39 -51.51 59.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 73' ' ' LEU . 8.7 ptm -75.3 -19.28 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.9 -32.24 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' CG ' ' HB3' ' A' ' 103' ' ' LEU . 8.1 m-80 -91.3 -7.33 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 70' ' ' MET . 30.1 mt -95.19 -33.78 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.65 -24.14 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.45 136.01 91.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -29.88 23.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -73.78 -2.04 21.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 34.0 t-20 -131.85 112.74 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -130.44 24.39 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' LYS . 12.7 mt -114.92 -53.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 tp -36.64 -60.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.657 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -52.38 -33.72 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 31.8 mtpt -74.33 -39.15 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -70.38 -35.66 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.562 ' CG1' HG11 ' A' ' 43' ' ' VAL . 87.9 t -67.98 -36.35 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.7 mp -82.31 -49.61 9.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -59.09 -45.48 90.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.79 -22.11 4.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -43.45 -25.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -126.72 140.31 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.71 148.66 35.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -5.45 16.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.84 -17.55 14.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -99.22 -32.65 11.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.6 tp -47.09 -27.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 50' ' ' GLU . 28.8 mt -74.92 -53.31 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -54.15 -24.02 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 43.3 mtp -53.04 140.65 24.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -80.71 156.3 72.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.71 -1.94 9.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -103.93 -31.4 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.99 -43.12 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.75 -46.82 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.82 -48.71 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 16' ' ' VAL . 78.5 mt -48.18 -52.88 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 11.6 mtp-105 -59.48 -48.36 81.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -56.57 -42.77 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 22.6 t -64.84 -57.29 9.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 12' ' ' ILE . 62.0 t -34.51 -50.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' HIS . 59.3 mtt180 -46.63 -71.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' ARG . 2.4 t-160 -35.22 -59.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.43 -51.06 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.49 -54.46 35.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' CD ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 ttpm? -55.73 -25.17 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.21 -41.47 77.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD22 HD11 ' A' ' 86' ' ' LEU . 30.9 mt -51.94 -19.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -71.72 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -66.77 -23.18 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 82' ' ' PHE . 26.8 mmm180 -78.6 -43.17 27.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.3 pp -75.75 -42.02 51.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -63.33 -23.26 67.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -91.09 -25.49 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -95.45 160.5 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -55.3 -17.43 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.586 ' HB3' HG13 ' A' ' 35' ' ' VAL . 63.9 mt -38.82 -57.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 50.97 26.62 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 28' ' ' LEU . 18.4 m -65.87 151.26 95.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 139.28 40.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 22.8 tt0 -42.21 -29.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.68 -45.1 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -60.66 -68.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.55 -44.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . . . -69.16 -37.64 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . 27.3 mtmt -58.78 -41.61 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.38 -61.62 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.73 -49.67 37.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.5 m -50.22 -39.33 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 4.1 mptt -73.7 -46.68 44.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' LYS . 27.2 mm -37.55 -66.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.99 -52.47 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -38.64 -44.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -82.65 -43.67 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.969 HD23 ' CE1' ' A' ' 62' ' ' TYR . 4.5 tp -59.34 -68.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 74.2 t80 -39.92 -30.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -50.2 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -51.55 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.35 -24.58 65.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 51.48 31.29 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -172.57 149.77 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -100.62 54.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 60' ' ' ALA . 23.9 t70 -97.93 170.96 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.7 -49.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 28.5 mttt -48.68 -61.3 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.969 ' CE1' HD23 ' A' ' 51' ' ' LEU . 68.9 t80 -34.67 -58.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 56.6 mttt -58.67 -53.38 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LYS . 8.3 t30 -37.0 -49.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.707 ' HD2' HD21 ' A' ' 69' ' ' LEU . 16.8 tppt? -69.63 -54.9 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -43.35 -55.02 4.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' SER . 8.4 ptp180 -57.3 -36.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 3.9 m -67.68 -39.8 84.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 65' ' ' LYS . 61.6 mt -59.65 -39.36 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.5 ptm -89.51 -23.15 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -53.26 -40.48 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.2 m-80 -81.44 -18.02 46.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -80.62 -45.42 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -70.49 -42.52 71.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.06 138.16 7.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -41.17 4.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -55.22 -24.99 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 m120 -100.54 97.29 8.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.401 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 11.1 p30 -120.86 25.24 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.431 HG22 ' CE ' ' A' ' 84' ' ' LYS . 25.0 mm -123.57 -32.69 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 HD22 ' A' ' 103' ' ' LEU . 10.2 tp -63.27 -62.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.945 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.8 p90 -41.78 -30.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 33' ' ' LEU . 15.3 ttmm -84.74 -68.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.0 mtmt -34.27 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' LEU . 48.1 t -68.4 -49.77 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.945 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.5 mp -64.83 -53.5 45.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -55.98 -32.63 64.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 123.46 -28.71 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 39.9 mm-40 -34.62 -44.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -118.6 133.76 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.1 p -85.13 148.33 50.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -15.17 37.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -32.9 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -85.97 -29.85 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 95' ' ' LEU . 4.8 tt -47.59 -22.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -79.14 -45.65 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -71.28 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.436 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 mmm -63.29 162.89 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -95.27 155.36 38.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.44 36.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -103.11 -11.33 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -88.54 -34.1 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 81' ' ' LEU . 9.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.27 -31.5 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' ILE . 28.0 tp60 -72.97 -59.22 2.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 80.3 mt -37.7 -45.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -67.69 -47.21 70.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -53.77 -54.13 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -38.72 65.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' ILE . 86.8 t -57.85 -40.83 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' A' ' 45' ' ' THR . 66.7 mtt180 -62.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' SER . 16.0 m170 -44.86 -62.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.2 t -36.77 -64.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -42.53 -57.64 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -53.86 -30.86 47.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.96 -48.37 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.546 HD11 ' HE3' ' A' ' 74' ' ' LYS . 44.5 mt -65.02 -63.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 86' ' ' LEU . 34.0 mt -49.43 -25.77 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.1 mmt -69.97 -65.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.66 58.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -87.45 -34.21 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.1 pp -84.0 -40.77 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.463 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.7 t -61.2 -23.22 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.76 -39.14 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -76.09 173.14 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 38.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 8.3 mt -84.33 -56.69 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt 59.2 45.74 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 86' ' ' LEU . 34.7 m -96.5 151.89 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.99 55.96 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -45.91 -38.6 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -48.6 -38.43 20.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -66.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.05 -60.53 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.73 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 37.1 mtpt -39.38 -54.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 85' ' ' VAL . 45.8 t -57.26 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.23 -34.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 ' NH1' ' A' ' 17' ' ' ARG . 20.2 m -67.96 -38.71 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -71.53 -45.06 63.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.428 HG22 ' OE2' ' A' ' 48' ' ' GLU . 4.9 mm -37.24 -60.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' OE2' HG22 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -67.59 -45.53 75.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -43.83 -32.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -44.02 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.858 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.5 tp -58.58 -59.5 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -45.91 -38.94 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.8 t -73.39 -48.39 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.33 -44.59 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.63 -17.0 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 38.07 32.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 1.3 p30 -174.6 141.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -94.34 59.11 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -95.43 170.36 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.55 -44.26 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' TYR . 24.0 mtmt -56.06 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.858 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.5 t80 -34.68 -64.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -57.78 -51.93 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -41.27 -40.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.52 -43.43 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.709 ' CE1' HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -52.96 -17.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -87.9 -57.35 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.794 HD11 ' HA ' ' A' ' 96' ' ' ILE . 22.1 mt -49.82 -32.24 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 73' ' ' LEU . 20.8 ptm -89.33 -23.26 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -37.79 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.13 -37.13 78.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 70' ' ' MET . 53.6 mt -53.93 -58.43 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 23' ' ' ILE . 9.6 ptpp? -69.31 -33.15 72.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.6 t70 -38.31 134.53 0.92 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -26.51 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -80.92 -36.22 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -99.02 98.78 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -121.71 40.06 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 84' ' ' LYS . 11.0 mt -129.65 -50.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' HD23 ' A' ' 73' ' ' LEU . 10.4 tp -36.46 -63.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' HD13 ' A' ' 86' ' ' LEU . 5.3 p90 -39.79 -39.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 19.5 tttm -79.11 -44.67 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HG3' HG22 ' A' ' 80' ' ' ILE . 26.0 mttt -51.36 -43.79 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 43' ' ' VAL . 40.6 t -68.1 -57.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 82' ' ' PHE . 6.8 mp -49.67 -53.09 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 mmmp? -61.73 -41.33 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 131.48 -26.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLY . 5.5 mm-40 -36.21 -50.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 84' ' ' LYS . 21.9 t -106.75 126.86 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 147.05 64.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.95 35.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -95.03 -24.81 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ARG . 22.7 t60 -88.35 -37.61 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 81' ' ' LEU . 16.3 tp -41.07 -27.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.794 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.6 mt -77.65 -42.5 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' HIS . 51.0 mtp180 -69.82 -24.26 63.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.1 mtp -58.98 138.38 57.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.63 150.8 95.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.585 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.83 -12.23 32.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.361 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -101.79 -30.08 11.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.12 -40.35 65.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 100' ' ' PRO . 10.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.46 -28.27 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.74 -37.44 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.11 -70.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -43.86 -38.97 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -49.71 -38.66 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.697 HG13 ' CE1' ' A' ' 66' ' ' TYR . 69.6 t -50.66 -43.22 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -53.51 -62.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -47.87 -54.13 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.2 m -46.57 -67.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -43.08 -60.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' ASP . 29.9 ttpt -45.79 -58.0 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.6 t70 -34.36 -59.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.9 mt -50.77 -64.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 86' ' ' LEU . 33.0 mt -48.72 -32.44 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.538 ' SD ' ' HB3' ' A' ' 40' ' ' ALA . 62.6 mmm -72.86 -38.36 67.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -20.06 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 25.0 mmm180 -90.92 -18.97 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -95.67 -37.31 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.484 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -70.56 -23.97 62.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.81 -44.59 7.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -68.72 -179.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.94 41.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.42 139.13 40.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -122.48 27.66 7.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.34 149.57 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.51 67.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -50.27 -29.8 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.41 -39.56 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -43.29 -64.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HB3' ' SD ' ' A' ' 25' ' ' MET . . . -59.75 -59.22 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.95 -32.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -74.61 -41.13 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 39' ' ' LYS . 97.9 t -57.63 -65.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.14 -51.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.7 m -51.54 -41.13 60.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CD ' ' HG3' ' A' ' 92' ' ' PRO . 72.4 mttt -70.2 -23.06 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 92' ' ' PRO . 34.0 mm -69.36 -51.61 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -38.65 -32.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -46.55 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.6 tp -64.06 -61.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -48.7 -24.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.6 t -82.65 -59.48 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -52.21 -37.43 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 39.4 m-85 -89.56 -21.07 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.1 ptp180 42.68 30.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -174.86 151.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 45.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 35.2 t0 -83.53 168.15 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -36.68 -52.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' TYR . 29.5 mtmt -46.3 -65.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.796 ' CE2' HD23 ' A' ' 51' ' ' LEU . 18.9 t80 -35.96 -44.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.86 -57.11 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -37.56 -42.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -72.62 -49.08 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -53.94 -60.27 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 39.4 ptt85 -49.82 -42.02 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 t -64.54 -47.69 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -38.88 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.58 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.5 ppp? -88.27 -13.75 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 35.6 t80 -66.8 -47.65 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -69.56 -34.73 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 70' ' ' MET . 95.2 mt -55.9 -44.4 78.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.81 -35.9 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -39.4 134.92 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -37.24 9.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.622 2.215 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -63.61 -41.15 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.88 98.5 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -121.22 30.35 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.04 -43.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 103' ' ' LEU . 10.6 tp -45.86 -69.3 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.0 p90 -40.78 -45.69 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 34.0 ttmt -60.38 -60.19 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 46.0 mtmt -48.54 -33.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.1 t -69.94 -62.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 24' ' ' LEU . 10.0 mp -51.95 -51.48 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -57.65 -37.98 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 129.23 -28.58 4.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' GLY . 17.4 mt-10 -34.78 -47.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -111.62 141.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.64 144.2 27.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -4.79 14.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -106.42 -16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -94.84 -29.93 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.9 tp -46.64 -27.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 mt -76.79 -43.01 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -66.34 -22.6 66.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mmm -58.85 171.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -106.35 156.24 37.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.715 0.769 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.21 25.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -106.9 -24.03 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.1 -37.6 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 81' ' ' LEU . 14.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -43.73 81.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -54.53 -52.42 62.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -48.05 -57.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -59.82 -54.06 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -46.2 -48.61 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -54.72 -47.41 73.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -44.6 -46.2 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' NE ' ' OG1' ' A' ' 45' ' ' THR . 41.7 mtp180 -46.44 -58.16 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' SER . 6.9 t-160 -54.12 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.438 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 3.8 m -36.38 -54.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.17 -63.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.3 ttpt -44.37 -35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.94 -54.6 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.546 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 55.3 mt -59.22 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.81 HD22 HD11 ' A' ' 86' ' ' LEU . 29.1 mt -48.1 -35.41 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.4 mmt -58.2 -34.75 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -91.82 -28.9 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.15 -20.63 57.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -94.2 -36.96 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 26' ' ' LYS . 6.1 t -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -37.11 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -77.81 170.72 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.21 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 mt -94.77 -65.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? 70.7 42.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.38 152.24 42.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.27 42.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 13.9 tt0 -42.37 -32.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.73 -43.5 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.11 -69.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.83 -60.16 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -41.05 -53.97 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -54.91 -58.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.17 -47.91 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.432 ' OG1' ' NE ' ' A' ' 17' ' ' ARG . 15.8 m -58.89 -24.6 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -90.98 -11.14 39.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 HG22 ' OE1' ' A' ' 48' ' ' GLU . 48.7 mm -73.26 -43.85 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.4 -52.39 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' GLU . 22.8 pttt -37.41 -38.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 96' ' ' ILE . 7.8 tp10 -89.96 -30.19 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -64.62 -61.15 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -53.46 -36.11 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 t -75.74 -36.07 60.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.94 -56.72 14.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -78.03 -38.67 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 73.55 29.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.84 146.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.7 p -100.8 57.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.3 m-20 -105.76 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.4 -66.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' ASN . 32.8 mtmt -37.86 -62.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.884 ' CE1' HD23 ' A' ' 51' ' ' LEU . 82.5 t80 -36.52 -52.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -29.73 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' LYS . 34.0 t-20 -63.74 -28.35 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -83.31 -39.74 20.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -62.9 -61.18 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -50.38 -28.62 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 t -77.56 -51.45 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 96' ' ' ILE . 8.0 mt -52.42 -38.5 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.546 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 5.0 ptm -84.48 -37.92 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -45.39 -34.68 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -87.0 -26.02 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.3 mt -68.51 -50.92 48.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -76.72 -17.23 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -50.68 128.96 26.95 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -26.78 27.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -78.02 -31.57 50.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 115.15 28.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.63 48.63 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 84' ' ' LYS . 19.8 mm -131.04 -57.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.487 HD21 HD11 ' A' ' 95' ' ' LEU . 12.1 tp -43.61 -63.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.868 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.2 p90 -41.95 -26.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -93.1 -33.75 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 80' ' ' ILE . 36.5 mtmt -68.66 -39.04 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 95' ' ' LEU . 77.3 t -73.47 -38.49 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.2 mp -71.64 -54.0 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -57.6 -44.1 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 137.62 -27.38 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.7 mm-40 -34.55 -48.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.81 146.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -93.57 155.05 41.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.35 30.84 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.9 -42.19 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ARG . 19.7 t60 -74.64 -35.29 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 85' ' ' VAL . 53.4 tp -44.79 -23.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.549 HG21 HD12 ' A' ' 51' ' ' LEU . 10.9 mt -84.55 -34.0 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' HIS . 13.1 ptm180 -103.9 34.74 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.1 mtp -97.21 140.37 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -46.96 144.47 3.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -103.13 -13.48 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.26 -32.15 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.03 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -43.54 -48.62 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' VAL . 85.8 mt -54.98 -54.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -57.72 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.65 -45.67 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -56.47 -42.71 78.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 20' ' ' LEU . 77.1 t -51.68 -53.84 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 31.9 mtm-85 -42.97 -61.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -52.22 -61.3 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -43.45 -62.39 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 HG12 ' A' ' 16' ' ' VAL . 80.1 mt -50.6 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ASP . 21.7 ttpt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.5 t0 -35.07 -58.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD12 ' HE2' ' A' ' 70' ' ' MET . 29.3 mt -48.77 -56.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' CD1' ' A' ' 86' ' ' LEU . 52.4 mt -58.94 -32.43 69.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.463 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 12.4 mtp -74.92 -25.75 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -32.19 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.21 -24.03 43.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -86.75 -40.51 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -63.88 -19.94 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.37 -53.98 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -66.55 -179.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -91.51 47.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.43 126.55 38.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -99.9 9.43 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -56.65 151.12 32.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HB2' ' CD ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.77 163.89 36.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' HE1' ' A' ' 25' ' ' MET . 19.6 tt0 -61.65 -47.83 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 36' ' ' PRO . 7.3 pm0 -51.9 -38.58 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.06 -58.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -68.51 -65.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -39.31 -49.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 39' ' ' LYS . 50.2 t -54.62 -58.39 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.63 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.1 m -70.34 -25.54 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 92' ' ' PRO . 20.1 mmtt -80.44 -38.22 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -48.24 -55.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' CG1' ' A' ' 16' ' ' VAL . 1.4 mp0 -65.09 -58.38 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLU . 37.3 tttp -34.6 -37.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' GLU . 6.7 tp10 -91.5 -44.61 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.705 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.4 tp -54.74 -59.11 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.67 -34.22 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -77.92 -18.75 55.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -93.57 -32.52 14.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.6 -15.01 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 43.83 29.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -172.6 155.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.3 p -110.89 46.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.39 -174.93 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.24 -45.17 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -33.77 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.705 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.7 t80 -68.41 -61.87 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -48.01 76.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' A' ' 51' ' ' LEU . 4.3 tppp? -80.12 -48.04 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.13 -50.52 64.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.96 -35.02 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 12.8 t -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.88 -43.75 82.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.881 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.8 ptm -81.44 -14.03 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.0 -35.18 69.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.91 -11.32 59.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 70' ' ' MET . 19.1 mt -89.26 -42.15 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -19.67 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.21 130.51 91.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.99 25.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -5.17 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -130.32 77.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -103.03 51.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -134.98 -51.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.3 tp -47.02 -61.05 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -38.53 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LEU . 36.5 ttmt -92.55 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HE3' HD12 ' A' ' 81' ' ' LEU . 54.2 mtmt -34.23 -42.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.1 t -67.29 -60.47 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.4 mp -51.55 -52.63 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.72 -43.58 80.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 136.5 -29.72 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 6.0 mm-40 -35.43 -46.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' LYS . 84.2 t -117.58 150.35 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.08 159.75 28.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 46' ' ' LYS . 53.6 Cg_endo -69.76 -21.93 32.82 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -82.95 -57.66 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.58 -29.19 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -47.73 -20.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.07 -47.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -62.03 -19.04 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -61.33 161.58 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 156.42 58.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -5.55 16.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.84 -24.63 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.759 0.314 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.82 -46.82 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -53.42 -45.28 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 9' ' ' ALA . 53.0 mt -57.3 -54.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 52' ' ' PHE . 74.6 mtm180 -57.11 -55.35 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 14' ' ' GLN . 7.4 tm0? -39.95 -50.3 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -55.28 -47.99 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.741 HG11 ' CD ' ' A' ' 48' ' ' GLU . 58.8 t -48.92 -45.02 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -53.81 -66.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -44.8 -59.74 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -41.52 -49.97 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.8 -57.01 14.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.6 ttpt -54.31 -28.81 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.71 -44.95 92.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.03 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 86' ' ' LEU . 57.1 mt -51.76 -17.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 2.8 mmt -78.9 -55.71 4.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -21.71 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.95 -39.69 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -78.59 -41.32 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.9 t -58.72 -32.07 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.16 -53.61 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -60.23 -178.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.34 49.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -106.85 122.53 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -100.86 30.36 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.36 147.19 95.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.15 46.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -42.94 -37.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.88 -46.2 82.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.0 -62.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.31 -50.04 63.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.99 -69.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -37.47 -48.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 39' ' ' LYS . 51.2 t -54.89 -58.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.89 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -60.01 -30.37 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.9 mttt -85.82 -39.27 17.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 HD23 ' A' ' 95' ' ' LEU . 47.1 mm -36.59 -55.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.741 ' CD ' HG11 ' A' ' 16' ' ' VAL . 28.1 mm-40 -76.53 -34.41 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -49.92 -40.99 45.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -85.32 -43.45 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.8 tp -55.72 -60.93 2.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 20.4 t80 -42.15 -43.35 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -71.41 -64.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -39.39 -52.94 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.54 -48.49 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 74.7 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -171.54 159.3 5.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -119.66 47.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.4 m-20 -97.1 177.61 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.27 -65.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' TYR . 20.7 mtmm -37.4 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' HD23 ' A' ' 51' ' ' LEU . 55.8 t80 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.64 -49.31 71.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -41.62 -48.02 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 51' ' ' LEU . 12.2 tppt? -64.08 -50.24 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.686 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -56.09 -65.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 68' ' ' SER . 9.3 ptm180 -47.64 -37.37 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 16.9 m -69.12 -40.93 78.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 96' ' ' ILE . 9.6 mt -60.59 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.56 ' HA ' HD12 ' A' ' 73' ' ' LEU . 26.4 ptm -72.94 -30.18 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.04 -39.03 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -80.52 -25.62 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 70' ' ' MET . 87.6 mt -71.45 -43.8 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -73.45 -20.27 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.61 127.83 88.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.723 . . . . 0.0 110.896 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -33.36 16.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -54.66 -32.08 58.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -110.36 79.82 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.3 p30 -98.91 47.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.4 mt -128.14 -46.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.2 tp -47.21 -67.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -40.11 -34.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -76.75 -46.0 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HE3' HD12 ' A' ' 81' ' ' LEU . 56.6 mtmt -59.15 -36.92 76.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.75 -58.62 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 11.0 mp -56.15 -45.78 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -63.24 -44.87 94.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.68 -27.52 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -39.49 -34.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.2 t -124.23 147.65 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 152.25 38.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.709 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 2.8 p30 -95.77 -37.06 10.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' ILE . 30.8 t60 -80.81 -33.75 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 47' ' ' ILE . 19.6 tp -41.76 -25.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.689 ' HA ' HD11 ' A' ' 69' ' ' LEU . 8.2 mt -72.74 -70.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -39.72 -33.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.9 mtp -55.74 125.88 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -71.88 160.08 83.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.676 0.75 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.56 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -95.81 -25.78 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.58 -43.97 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.703 HD22 HD21 ' A' ' 81' ' ' LEU . 73.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.771 0.32 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -58.46 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -53.28 -55.13 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.5 -64.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 13.1 mtp-105 -50.02 -46.82 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -55.48 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 t -48.86 -41.54 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 66' ' ' TYR . 97.0 t -53.29 -48.19 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -56.25 -71.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -46.33 -59.37 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 20.9 m -37.92 -59.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' OE2' ' A' ' 48' ' ' GLU . 47.2 mt -54.33 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.1 ttpt -47.11 -28.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.52 -52.24 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 55.4 mt -64.22 -54.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.4 mt -60.0 -17.18 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.6 mmt -81.57 -33.31 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -93.72 -19.29 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 78' ' ' ASN . 19.3 mmm180 -86.34 -20.98 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.62 -33.18 15.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 26' ' ' LYS . 9.4 t -69.44 -33.37 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.78 -38.51 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 m -80.76 168.68 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -79.38 49.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' HE2' ' A' ' 83' ' ' LYS . 23.2 mt -102.77 128.93 49.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -108.41 29.35 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -72.5 147.15 89.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.39 57.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -47.17 -34.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -44.34 91.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -68.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.21 -56.04 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -50.53 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' ALA . 29.4 mtpt -36.04 -51.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -53.82 -55.58 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.55 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -49.99 -30.02 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -77.91 -44.85 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.535 HD12 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -41.8 -56.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HG3' HG11 ' A' ' 16' ' ' VAL . 11.5 mp0 -69.75 -53.43 18.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 35.3 tttt -35.26 -39.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -89.68 -37.49 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' CE2' ' A' ' 62' ' ' TYR . 5.8 tp -62.2 -58.82 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -50.86 -40.45 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 t -72.36 -39.27 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.91 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -75.34 -33.21 61.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 9.4 ttm105 66.58 29.35 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 7.6 m-20 -174.74 164.04 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.1 p -113.27 48.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.25 -177.44 6.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.65 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -76.21 -65.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.742 ' CE2' HD23 ' A' ' 51' ' ' LEU . 5.4 t80 -41.93 -44.05 3.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -70.63 -45.45 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -52.99 -36.33 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' CG ' HD11 ' A' ' 51' ' ' LEU . 14.9 tppt? -70.84 -51.11 28.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.494 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -52.75 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -51.59 -29.4 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -80.88 -25.79 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.37 -35.9 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.448 ' CE ' ' CD1' ' A' ' 23' ' ' ILE . 2.2 ppp? -89.38 -19.97 24.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -58.43 -32.08 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -78.85 -53.09 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -42.07 -55.6 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 21.5 ptmt -58.51 -38.61 78.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -39.09 125.94 1.27 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.559 0.695 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -22.22 32.58 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -77.43 -32.96 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 2.6 m120 -94.09 89.35 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 26.3 p30 -106.7 36.24 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' HG3' ' A' ' 84' ' ' LYS . 9.7 mt -128.51 -54.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -39.39 -63.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.739 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -39.4 -46.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' HD21 ' A' ' 33' ' ' LEU . 7.4 tttt -69.86 -68.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' A' ' 80' ' ' ILE . 31.4 mtmt -34.33 -38.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.26 -51.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.8 mp -61.37 -51.53 68.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -58.37 -40.3 81.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.45 -24.63 3.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.48 -40.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 t -122.28 126.93 74.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 p -81.42 152.39 70.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -20.9 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.01 -34.68 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 47' ' ' ILE . 18.1 tp -42.72 -27.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.518 ' CG2' HD12 ' A' ' 51' ' ' LEU . 16.7 mt -79.46 -50.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -56.21 -26.54 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.1 mmm -57.53 146.79 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 p -81.44 155.9 71.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.43 3.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.34 -37.2 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -73.97 -34.95 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.83 0.347 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.84 -53.44 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.72 -45.16 82.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 9' ' ' ALA . 84.2 mt -55.89 -64.68 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 21.4 mtm105 -48.01 -45.55 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.08 -53.85 52.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -49.43 -44.77 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.696 HG13 ' CE1' ' A' ' 66' ' ' TYR . 98.3 t -47.34 -44.55 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -55.23 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.5 -52.58 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -49.79 -58.02 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.3 -55.68 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 35.5 ttpt -53.97 -40.22 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.04 -52.47 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 59.3 mt -62.35 -57.41 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 86' ' ' LEU . 43.6 mt -55.02 -21.65 12.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mmt -76.41 -39.58 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.91 -22.78 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 79' ' ' ASN . 24.2 mmm180 -83.23 -22.99 32.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.16 -36.9 13.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.4 t -69.14 -31.45 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -78.45 -57.08 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -53.76 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -89.32 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -105.4 157.1 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 12.8 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.99 147.56 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.85 32.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 -22.88 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.32 -25.48 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -68.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.08 -58.94 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.469 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -50.74 -51.08 53.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -53.55 -44.64 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.65 -58.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.01 -47.0 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -58.96 -21.17 57.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -91.7 -15.94 27.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.93 -53.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -63.87 -57.4 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' GLU . 15.2 tp10 -96.34 -41.18 8.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.592 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.3 tp -64.3 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.46 -24.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -84.61 -50.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -56.73 -29.39 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.68 -33.1 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 24.3 mtt-85 56.05 31.91 18.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 13.4 m-20 -171.92 154.91 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.6 p -101.62 29.77 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.36 169.66 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.32 -38.6 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -60.16 -31.66 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -72.54 -57.4 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.98 -42.69 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.83 -48.03 41.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.29 -44.09 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.696 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.7 t80 -57.11 -55.98 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -63.37 -23.99 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -79.42 -39.22 32.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -49.0 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 15.6 ptm -70.16 -27.28 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -49.38 -45.21 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -72.9 -22.7 60.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' MET . 89.2 mt -73.66 -53.96 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 31.1 pttt -69.29 -3.84 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.28 121.87 84.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.45 37.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -83.59 -43.72 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 52.5 t-20 -87.26 87.29 7.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -101.63 42.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 mt -129.67 -57.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 9.7 tp -34.9 -69.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.2 p90 -42.23 -51.84 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 30.7 ttmt -55.37 -58.04 9.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 42.6 mtmt -49.85 -35.16 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.9 t -70.3 -66.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 24' ' ' LEU . 11.1 mp -49.22 -45.82 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.11 -43.45 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.02 3.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -39.36 -55.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.4 t -98.73 145.8 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.15 149.33 35.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.535 0.684 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.54 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.63 -24.39 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 96' ' ' ILE . 56.0 t60 -86.96 -36.82 18.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -42.7 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 94' ' ' HIS . 17.5 mt -79.9 -56.3 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 14.5 mtp-105 -57.97 -24.95 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -53.52 152.8 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.0 m -78.79 150.0 74.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.8 -22.93 31.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -84.14 -25.13 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -78.25 -45.19 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 81' ' ' LEU . 33.2 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.19 -46.12 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.41 -47.73 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.08 -61.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -49.65 -48.54 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -54.48 21.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -52.64 -47.57 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' CD ' ' A' ' 48' ' ' GLU . 91.2 t -47.57 -50.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -57.46 -66.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -43.23 -54.38 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 m -47.9 -57.91 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.2 mt -49.16 -47.55 45.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.7 ttpt -62.35 -31.86 72.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.54 -54.83 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 14.8 mt -58.19 -60.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -54.05 -28.45 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.461 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 mmt -68.05 -32.36 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.59 -31.58 15.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.8 mmm180 -72.0 -33.5 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -80.66 -39.29 27.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 t -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.5 -46.28 12.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -72.94 -179.37 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -95.17 48.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.717 ' HB3' HG13 ' A' ' 35' ' ' VAL . 13.1 mt -88.45 -47.7 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp 55.07 28.52 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.717 HG13 ' HB3' ' A' ' 33' ' ' LEU . 9.2 m -80.61 149.07 67.33 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.32 47.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.23 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -40.63 -44.05 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.87 -58.07 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HE2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.96 -67.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.65 -58.51 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -48.44 -67.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' ALA . 6.6 mtpm? -34.31 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CG2' ' HE2' ' A' ' 39' ' ' LYS . 96.0 t -53.6 -59.11 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.77 -56.92 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -50.86 -31.91 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.2 mmtp -76.46 -45.59 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.0 mm -37.49 -61.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.513 ' CD ' HG12 ' A' ' 16' ' ' VAL . 1.6 mp0 -63.32 -52.22 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 39.7 tttm -36.22 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -94.97 -39.04 10.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.2 tp -60.59 -58.89 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ARG . 26.5 t80 -47.43 -43.74 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -67.89 -55.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.796 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -41.37 -38.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.83 -13.36 16.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 25.2 mtt180 45.94 32.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -174.82 167.68 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 45.0 p -119.71 60.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -100.7 178.91 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.92 -54.17 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' ASN . 19.6 mtmm -50.4 -65.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 51' ' ' LEU . 29.1 t80 -40.32 -49.2 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -67.08 -36.08 81.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' LYS . 21.5 t-20 -60.95 -37.05 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.3 tppm? -71.47 -45.52 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 1.6 t80 -58.02 -60.52 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -25.3 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -78.69 -53.29 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 95' ' ' LEU . 14.0 mt -50.07 -42.1 49.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.5 ptm -82.61 -18.17 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -52.42 -45.32 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.04 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' MET . 73.4 mt -84.78 -46.06 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -78.09 -3.51 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.81 121.88 84.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.99 8.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -17.53 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -118.05 88.14 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.65 57.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' ' 84' ' ' LYS . 11.0 mt -132.06 -58.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 103' ' ' LEU . 11.7 tp -42.65 -68.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.72 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -38.54 -33.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -80.67 -44.03 19.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' ' 80' ' ' ILE . 50.1 mtmt -61.74 -34.56 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.66 -48.46 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -64.99 -50.85 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.07 -43.87 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.35 -22.99 3.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.6 t -117.13 124.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 150.79 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -16.4 37.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.11 -15.84 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -101.12 -31.56 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' A' ' 69' ' ' LEU . 11.4 tp -48.45 -28.93 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -71.65 -53.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -52.72 -24.57 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 40.5 mtp -59.27 154.39 16.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 1.8 m -91.16 160.4 37.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.92 -45.99 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 99' ' ' SER . 1.7 mp0 -57.36 -46.31 83.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 81' ' ' LEU . 86.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.53 -25.11 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.76 -51.79 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.8 mt -52.22 -49.41 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -66.0 -54.16 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -48.69 -52.6 22.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.28 -47.74 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.755 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.0 t -45.78 -54.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' CZ ' HG23 ' A' ' 45' ' ' THR . 53.8 mtt180 -43.39 -62.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.23 -58.37 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.48 -64.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.2 -47.3 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 31.4 ttpt -65.56 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.36 -48.7 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.37 -63.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 86' ' ' LEU . 18.7 mt -50.23 -23.69 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.565 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.9 mmt -70.05 -38.74 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -86.01 -27.04 25.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -25.09 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.78 -32.86 14.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.489 HG22 ' HA ' ' A' ' 26' ' ' LYS . 1.5 t -78.76 -16.39 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -93.05 -42.38 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.3 p -74.63 179.33 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -82.92 41.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.7 mt -102.01 126.96 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -108.74 33.97 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m -77.36 147.45 75.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.28 50.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 2.3 tm-20 -42.21 -44.23 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -44.06 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -69.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.45 -56.66 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -48.72 -67.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 54.5 mttt -38.44 -54.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.6 -55.44 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.53 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 17' ' ' ARG . 10.4 m -46.78 -30.52 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 3.7 mptt -78.34 -50.6 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' LYS . 22.8 mm -36.68 -55.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' LYS . 1.4 mp0 -66.35 -54.94 18.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' GLU . 33.9 tttp -36.08 -43.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.1 -54.27 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.965 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.9 tp -44.01 -61.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -43.72 -46.73 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -64.82 -59.43 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -39.5 -69.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.38 -42.41 87.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 68.76 30.62 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -168.49 150.25 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 p -104.74 58.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -108.72 -178.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.77 -58.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.5 mtmp? -42.39 -64.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.965 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.1 t80 -34.46 -57.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ASN . 62.8 mttt -61.61 -53.3 58.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 5.2 t-20 -36.31 -44.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.2 tppm? -69.86 -59.92 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.755 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.3 t80 -42.58 -55.36 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 68' ' ' SER . 11.1 ptm180 -56.2 -35.2 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.6 t -68.93 -48.15 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD22 ' HG ' ' A' ' 95' ' ' LEU . 77.2 mt -49.8 -53.9 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.643 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.8 ptm -71.28 -30.46 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -39.09 -51.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.7 -44.65 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -49.95 -46.25 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ASP . 9.3 ptmm? -75.53 -38.35 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.6 t0 -35.0 116.42 0.54 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.624 0.726 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.88 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -95.55 -29.35 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -104.26 107.9 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -122.21 49.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.688 HG22 ' HE2' ' A' ' 84' ' ' LYS . 23.5 mt -127.02 -44.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.6 tp -49.67 -69.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 86' ' ' LEU . 4.1 p90 -39.12 -39.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -69.68 -52.02 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.688 ' HE2' HG22 ' A' ' 80' ' ' ILE . 55.9 mtmt -56.71 -38.4 72.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -69.7 -58.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.614 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.5 mp -54.72 -53.31 56.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -56.24 -46.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 135.72 -26.19 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' GLY . 9.5 mm-40 -37.07 -46.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.94 137.11 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.6 p -89.89 147.29 37.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.61 16.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.19 -31.29 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -84.72 -30.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.2 tp -45.55 -35.09 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.1 mt -73.03 -48.62 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -55.4 -29.68 58.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.07 172.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -105.69 152.52 40.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -9.89 27.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -98.19 -27.01 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.07 -36.88 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 100' ' ' PRO . 16.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -43.02 -49.56 6.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.99 -41.65 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 9' ' ' ALA . 65.7 mt -59.49 -56.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -51.6 -52.95 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -49.6 -51.28 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -51.69 -48.5 63.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 66' ' ' TYR . 90.5 t -44.64 -49.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.68 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -40.83 -56.89 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -44.2 -57.35 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.8 mt -50.61 -61.41 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -52.65 -33.33 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.76 -47.17 86.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -69.14 -50.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.9 mt -64.52 -18.36 64.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 7.0 mmt -77.07 -44.73 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -83.32 -21.96 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -78.79 -26.1 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 29' ' ' THR . 1.8 pp -89.64 -42.24 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.706 ' N ' HD12 ' A' ' 28' ' ' LEU . 14.4 t -60.63 -35.42 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.33 -43.51 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -79.6 175.79 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -84.1 61.4 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.4 108.6 17.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -85.79 21.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.0 149.97 90.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.96 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -66.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.85 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.89 -67.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -39.64 -56.8 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 85' ' ' VAL . 78.7 t -50.02 -54.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -53.09 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -47.85 -32.26 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 1.3 mptp? -77.38 -52.13 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.9 mm -36.78 -56.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.08 -32.26 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 22.3 tttp -60.76 -38.51 85.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.94 -42.35 12.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.5 tp -52.94 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -54.75 -45.28 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 m -64.56 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.76 -55.32 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 71.5 m-85 -76.65 -18.9 58.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.7 mtt180 52.84 28.54 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.2 m-20 -175.02 171.4 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 63.5 p -110.74 27.94 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.81 -175.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.24 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -66.56 -29.61 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.435 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 24.9 t80 -72.02 -49.01 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -70.62 -45.75 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -45.97 -39.0 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HD2' HD21 ' A' ' 69' ' ' LEU . 1.1 tppm? -73.52 -42.68 61.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.673 ' CD1' HG13 ' A' ' 16' ' ' VAL . 2.3 t80 -59.71 -51.56 69.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 6.2 ppt_? -66.08 -10.48 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -92.66 -53.93 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.5 mt -48.45 -36.73 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.772 ' HA ' HD12 ' A' ' 73' ' ' LEU . 17.9 ptm -88.99 -18.48 27.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.33 -32.13 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.78 -29.71 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 70' ' ' MET . 51.2 mt -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -87.77 -3.69 58.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -81.07 126.65 76.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.816 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.36 37.36 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.55 -40.47 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 12.2 t-20 -107.49 84.98 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -96.94 44.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.654 HG22 ' CG ' ' A' ' 84' ' ' LYS . 2.9 mt -127.27 -55.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' LYS . 8.7 tp -32.17 -69.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.1 p90 -36.89 -40.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ILE . 32.4 tttm -77.79 -38.65 46.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.654 ' CG ' HG22 ' A' ' 80' ' ' ILE . 14.6 mtpp -60.55 -36.92 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 43' ' ' VAL . 40.1 t -76.08 -47.38 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.656 ' CD1' HD22 ' A' ' 24' ' ' LEU . 6.8 mp -61.89 -48.88 78.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -62.64 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.3 -6.84 5.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.2 mm-40 -54.75 -55.69 27.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -100.6 122.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.36 146.04 88.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.02 19.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -106.19 -18.99 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -92.91 -35.09 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -44.48 -24.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.68 -38.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -75.34 -15.66 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 37.8 mmm -68.53 149.03 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 p -84.37 158.71 60.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.672 0.749 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.1 Cg_endo -69.75 -7.33 20.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -101.16 -20.34 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -90.75 -28.21 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 100' ' ' PRO . 41.3 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.14 -35.78 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.2 -39.01 93.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.67 -69.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' NH1' ' CE2' ' A' ' 52' ' ' PHE . 8.7 ptt180 -47.38 -37.43 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.3 -42.28 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 t -65.99 -40.55 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -46.22 -44.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -47.38 -65.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.32 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -40.04 -57.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.05 -54.31 31.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -50.87 -38.71 51.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.27 -50.2 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.1 mt -66.71 -54.25 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 28' ' ' LEU . 55.5 mt -61.29 -12.79 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.21 -43.67 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.29 -22.78 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 13.9 mmm180 -80.27 -28.17 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -86.77 -37.06 18.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -72.44 -22.91 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -92.15 -43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -67.04 -178.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -85.61 31.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -94.04 147.29 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -125.94 13.19 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.29 147.78 86.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.595 0.712 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.21 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.97 -36.17 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -50.87 -54.64 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.68 -53.41 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.79 -56.71 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.38 -65.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 32.6 mttm -35.47 -59.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.958 HG11 ' CG1' ' A' ' 85' ' ' VAL . 90.4 t -52.84 -52.43 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.82 66.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -63.9 -30.61 71.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -73.98 -41.48 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.7 mm -40.83 -61.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -63.4 -45.68 89.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -44.31 -38.45 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.52 -43.22 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 62' ' ' TYR . 7.6 tp -58.38 -61.95 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' NH1' ' A' ' 13' ' ' ARG . 71.5 t80 -52.09 -26.34 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -82.16 -28.4 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 6.0 t80 -80.87 -50.8 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.82 -17.0 56.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 49.39 31.5 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -173.94 158.0 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 p -116.15 39.98 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -89.18 -175.21 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.84 -63.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' TYR . 16.7 mttm -40.31 -63.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.4 t80 -36.72 -58.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASN . 50.4 mttt -59.22 -51.49 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LYS . 50.1 t30 -35.74 -43.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' CG ' HD11 ' A' ' 51' ' ' LEU . 13.9 tppt? -71.22 -52.92 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.03 -59.22 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 3.9 ptm85 -50.26 -27.06 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -81.45 -28.39 34.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD22 HD23 ' A' ' 95' ' ' LEU . 84.1 mt -80.36 -39.29 28.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.667 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ppp? -86.39 -17.48 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 2.7 t80 -65.31 -43.43 91.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -75.11 -26.67 59.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 70' ' ' MET . 65.9 mt -58.84 -43.96 90.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' CE ' ' SD ' ' A' ' 70' ' ' MET . 12.3 ptpt -79.81 -27.53 40.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 m-20 -52.82 131.9 47.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.08 21.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.24 -23.64 66.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -112.68 90.95 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 41.58 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -125.21 -60.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 103' ' ' LEU . 10.0 tp -41.26 -62.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 27' ' ' ARG . 2.5 p90 -40.44 -32.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' LYS . 28.5 ttmt -86.25 -64.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HB3' HG23 ' A' ' 90' ' ' VAL . 28.5 mmtt -34.37 -38.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.958 ' CG1' HG11 ' A' ' 43' ' ' VAL . 76.8 t -67.37 -51.19 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.1 mp -65.74 -51.18 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -56.58 -42.8 79.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.88 10.91 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LYS . 68.4 mm-40 -80.11 -45.25 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 84' ' ' LYS . 21.4 t -104.91 121.47 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.29 155.12 82.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -39.58 6.22 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.58 -29.91 69.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 97' ' ' ARG . 14.9 t60 -81.44 -40.47 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 HD22 ' A' ' 69' ' ' LEU . 2.1 tt -39.77 -26.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.513 HG21 HD12 ' A' ' 51' ' ' LEU . 10.0 mt -83.64 -41.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' HIS . 76.0 mtp180 -66.66 -26.54 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.1 mtp -55.36 158.2 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -87.3 156.61 54.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.76 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -109.66 -27.36 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -78.83 -36.61 42.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.352 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -36.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -74.13 -36.89 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.8 mm -45.6 -50.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.53 -53.98 23.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -43.86 -47.55 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -51.79 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.2 t -45.64 -49.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' HIS . 43.9 mtm180 -48.84 -70.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.507 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.1 t-160 -37.21 -58.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -44.98 -64.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.95 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.2 ttpt -50.48 -35.73 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.28 -46.64 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.2 mt -71.01 -55.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 mt -61.19 -9.45 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.7 mmt -82.12 -40.78 21.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -20.16 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -81.31 -32.78 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -79.26 -40.07 31.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.7 t -69.94 -22.26 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -81.04 -37.29 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -85.05 -177.51 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -94.36 30.13 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 35' ' ' VAL . 11.3 mt -70.84 -38.04 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttm 47.65 38.59 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 33' ' ' LEU . 6.4 m -89.34 148.75 41.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.15 47.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -41.19 -36.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -49.6 -58.44 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' NZ ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -38.47 -66.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.92 -57.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.93 -64.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.4 mtmt -33.8 -52.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.69 -59.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.08 -37.89 35.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.9 m -59.27 -36.83 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -37.24 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -41.23 -57.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.726 ' CD ' HG11 ' A' ' 16' ' ' VAL . 4.7 mm-40 -72.48 -26.89 61.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -57.99 -40.85 81.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -89.62 -37.62 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.7 tp -57.04 -48.79 77.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.34 -24.74 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.8 t -85.17 -21.97 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -82.4 -49.74 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -85.5 -30.05 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 63.99 30.54 14.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.44 163.97 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -112.42 50.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -95.85 -175.7 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.09 57.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -67.91 -21.61 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.4 t80 -82.26 -50.56 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -71.45 -51.65 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -38.61 -41.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -72.78 -43.62 62.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.4 t80 -53.39 -52.64 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 2.6 ptm85 -64.77 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -65.69 -36.92 85.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 96' ' ' ILE . 43.5 mt -80.8 -39.31 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.45 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.4 ppp? -78.3 -13.58 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.31 -44.04 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -68.56 -20.44 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 70' ' ' MET . 62.2 mt -70.69 -46.93 62.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -73.79 -29.64 62.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.2 129.94 12.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.88 23.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -10.31 59.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -124.81 92.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -111.07 2.57 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 ' HE2' ' A' ' 84' ' ' LYS . 57.9 mt -95.24 -33.98 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.866 HD21 HD22 ' A' ' 103' ' ' LEU . 8.2 tp -57.56 -59.58 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -49.04 -34.76 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 31.1 mttt -73.57 -68.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.469 ' HE2' HG22 ' A' ' 80' ' ' ILE . 41.3 mtmt -34.26 -40.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.4 -53.17 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.3 mp -61.01 -52.42 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -57.54 -35.86 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 125.69 -28.99 4.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 19.8 mm-40 -34.94 -43.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -117.2 112.17 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -68.1 149.95 97.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.569 0.699 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.98 35.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -100.68 -4.05 29.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -110.35 -32.05 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.35 -24.84 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.8 mt -80.21 -42.6 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.16 -19.23 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 mtm -75.91 134.48 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 156.4 38.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -19.11 36.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -89.18 -16.2 31.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.78 -16.94 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.866 HD22 HD21 ' A' ' 81' ' ' LEU . 71.0 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.0 -54.83 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -55.7 -52.98 62.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.22 -57.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -56.63 -49.88 73.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -44.31 -54.39 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -53.33 -42.3 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.8 t -54.96 -55.56 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -52.54 -63.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -47.16 -61.09 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -43.63 -59.25 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD12 ' OE2' ' A' ' 48' ' ' GLU . 37.6 mt -46.53 -54.68 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -58.75 -36.41 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -55.17 -45.92 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.47 HD11 ' HE2' ' A' ' 70' ' ' MET . 55.8 mt -67.22 -62.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 86' ' ' LEU . 31.8 mt -48.86 -22.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 mmt -75.24 -45.18 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -12.4 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 15.6 mmm180 -94.22 -39.64 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.687 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.2 pp -77.62 -40.77 40.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.6 t -68.63 -18.84 64.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.46 -30.19 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m -90.15 -177.56 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -81.4 46.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD13 HD22 ' A' ' 86' ' ' LEU . 6.2 mt -105.85 -65.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 57.29 31.54 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 28' ' ' LEU . 21.7 m -75.59 151.42 84.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -38.07 -37.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -50.29 -48.02 55.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.17 -60.82 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.51 -58.11 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -51.92 -66.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.2 mtpm? -34.08 -56.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.912 HG11 ' CG1' ' A' ' 85' ' ' VAL . 89.9 t -55.09 -56.4 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.1 -48.09 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.3 m -55.38 -33.75 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -43.69 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -37.95 -58.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.678 ' OE2' HD12 ' A' ' 20' ' ' LEU . 15.9 mp0 -65.25 -38.58 90.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -49.31 -36.08 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' OE1' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -86.89 -49.56 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.718 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -51.62 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -42.4 -37.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -81.15 -27.46 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 51' ' ' LEU . 49.1 t80 -69.75 -45.71 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -93.98 -27.13 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 61.51 35.18 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -174.89 152.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 p -111.15 56.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -111.6 -179.5 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.29 -54.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -48.35 -43.27 33.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.718 ' CE1' HD23 ' A' ' 51' ' ' LEU . 46.4 t80 -56.96 -67.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . 23.8 mttt -51.95 -53.9 35.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . 21.9 t30 -34.44 -45.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -75.81 -53.81 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.424 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -43.11 -49.73 6.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 12.1 ptt180 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.2 t -64.46 -35.5 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 51' ' ' LEU . 45.1 mt -58.4 -48.59 80.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' LEU . 10.6 ptm -83.51 -26.67 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -43.67 -36.5 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 78' ' ' ASN . 10.3 m-80 -91.77 -27.53 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' MET . 91.0 mt -66.34 -43.31 86.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -28.69 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.45 141.29 93.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.8 Cg_endo -69.8 -50.44 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -28.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 6.3 m-20 -116.94 86.41 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 18.3 p30 -105.56 36.49 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 84' ' ' LYS . 10.1 mm -130.82 -56.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.555 HD21 HD22 ' A' ' 103' ' ' LEU . 12.6 tp -33.5 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.76 ' O ' HD13 ' A' ' 86' ' ' LEU . 10.3 p90 -44.48 -41.1 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HG3' HD11 ' A' ' 33' ' ' LEU . 22.1 ttmt -68.48 -57.7 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 80' ' ' ILE . 4.5 mmpt? -35.86 -53.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.912 ' CG1' HG11 ' A' ' 43' ' ' VAL . 37.5 t -56.78 -44.15 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 33' ' ' LEU . 10.5 mp -65.37 -56.12 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -55.72 -52.3 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.81 27.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -99.71 -48.24 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.66 116.73 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.2 p -66.81 146.87 99.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.709 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.31 37.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.46 -39.53 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ARG . 21.6 t60 -71.91 -39.12 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.451 HD12 HG21 ' A' ' 85' ' ' VAL . 2.5 tt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.457 HD12 ' OE1' ' A' ' 50' ' ' GLU . 20.2 mt -74.83 -46.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' HIS . 62.9 mtp180 -79.48 -8.11 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 mtp -57.41 133.67 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -64.53 161.32 44.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -9.34 25.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -102.09 -23.63 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.72 -42.1 29.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 81' ' ' LEU . 80.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.3 t0 -34.94 -42.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.91 -52.69 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.2 -50.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -60.35 -41.69 94.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -54.24 -53.65 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.8 m -54.56 -43.93 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.598 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.2 t -47.49 -43.39 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtt85 -57.9 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -46.57 -50.9 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -50.54 -54.58 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.06 -51.32 69.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.8 ttpt -60.76 -30.38 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.39 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.34 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -51.42 -17.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.8 mmt -78.45 -53.89 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.64 -17.17 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -85.96 -32.86 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -83.08 -41.83 18.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -58.7 -36.78 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.17 -7.23 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LEU . 24.2 m -103.11 31.8 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 39.34 26.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.5 mt -74.72 113.47 12.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -86.66 38.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.75 149.35 40.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.72 51.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -47.81 -35.15 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -56.34 -42.41 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.87 -55.8 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -46.88 -67.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 47.2 mttt -37.36 -55.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.71 -52.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.56 69.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.3 m -50.45 -25.59 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 23.2 mttt -85.41 -45.38 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LYS . 32.9 mm -37.45 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.0 -55.55 21.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . 62.5 tttm -36.79 -35.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.82 -37.44 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD23 ' CE1' ' A' ' 62' ' ' TYR . 3.0 tp -64.45 -59.31 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ARG . 33.9 t80 -50.82 -43.92 59.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -66.14 -51.63 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -45.63 -65.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -71.98 -43.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 16.6 ttt180 72.12 30.55 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -171.12 148.73 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.4 p -99.81 57.55 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -103.14 -178.73 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.64 -46.32 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -52.83 -59.57 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.831 ' CE1' HD23 ' A' ' 51' ' ' LEU . 79.4 t80 -49.61 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -44.82 -47.8 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.15 -50.04 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 51' ' ' LEU . 17.1 tppt? -60.03 -36.43 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -65.69 -61.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -12.1 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -88.12 -38.44 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 16.5 mt -64.36 -50.64 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.0 ptm -71.43 -33.86 69.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -42.43 -40.92 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -82.98 -32.28 27.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 70' ' ' MET . 34.5 mt -57.69 -49.68 75.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -68.03 -29.25 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.0 t0 -36.87 119.7 0.78 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.84 28.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.286 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -8.09 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -115.37 90.52 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.25 47.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.529 HG22 ' HG3' ' A' ' 84' ' ' LYS . 24.4 mt -132.2 -58.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.594 HD12 ' NZ ' ' A' ' 84' ' ' LYS . 6.5 tp -34.6 -68.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' O ' HD13 ' A' ' 86' ' ' LEU . 9.6 p90 -41.77 -44.3 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 23.3 ttmt -65.24 -46.69 79.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.594 ' NZ ' HD12 ' A' ' 81' ' ' LEU . 9.1 mtmp? -59.74 -41.09 90.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.0 -56.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 24' ' ' LEU . 7.6 mp -56.56 -51.41 68.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -57.47 -50.43 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.46 -18.49 2.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.08 -34.2 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.37 149.69 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.18 153.07 38.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -13.26 34.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -91.59 -45.38 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -70.81 -33.07 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.0 tp -43.21 -31.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.9 mt -72.49 -49.74 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -56.52 -29.54 61.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 47.0 mmm -52.4 152.18 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -81.69 152.56 69.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.35 -17.23 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.08 -45.27 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.753 0.311 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 -43.33 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.44 -51.1 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -50.6 -59.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -53.52 -50.18 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -50.91 -52.31 43.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -50.95 -46.11 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.732 HG13 ' CD1' ' A' ' 66' ' ' TYR . 95.1 t -45.94 -49.07 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 24.3 mtm180 -52.61 -68.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' SER . 56.0 t-80 -53.21 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.449 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 2.2 m -36.48 -52.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.93 -59.43 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 41' ' ' ALA . 9.8 ttmt -47.57 -50.28 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.5 t0 -34.39 -53.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 45.5 mt -63.74 -61.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 86' ' ' LEU . 56.2 mt -54.09 -17.13 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 4.9 mmt -79.7 -43.95 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.03 -19.37 34.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -84.25 -39.14 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -75.12 -32.23 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.5 t -77.76 -18.1 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 -41.15 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -71.61 179.79 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.98 38.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 83' ' ' LYS . 24.2 mt -106.71 125.33 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 50.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 28' ' ' LEU . 4.5 m -92.06 147.52 34.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 168.84 20.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -68.78 -25.33 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.36 -35.04 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -47.39 -69.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -54.2 -61.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . . . -35.56 -49.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 32.4 mttm -59.47 -52.2 66.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 39' ' ' LYS . 40.9 t -52.66 -58.58 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' ARG . . . -49.98 -48.69 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -56.97 -34.99 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 50' ' ' GLU . 3.1 mptp? -70.14 -50.51 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.574 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.1 mm -45.23 -51.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.09 -22.64 64.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -73.85 -49.22 26.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 46' ' ' LYS . 2.0 pm0 -78.16 -50.73 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.723 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.0 tp -44.68 -59.93 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.59 -42.58 56.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.9 t -70.57 -29.25 65.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.29 -67.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 76.7 m-85 -78.1 -31.35 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 63.44 32.45 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -174.19 132.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.1 p -75.72 56.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -98.38 176.11 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -29.44 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -31.35 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.723 ' CE1' HD23 ' A' ' 51' ' ' LEU . 9.0 t80 -79.83 -45.2 19.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -40.64 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.98 -35.2 61.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HG3' HD11 ' A' ' 51' ' ' LEU . 13.5 tppt? -76.94 -44.32 31.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.732 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.2 t80 -56.48 -55.06 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -62.04 -30.7 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' PHE . 3.6 m -70.3 -61.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.45 -40.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.63 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ptm -88.42 -24.41 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' SER . 68.2 t80 -47.15 -45.87 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 10.3 m-80 -81.54 -40.91 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 70' ' ' MET . 82.5 mt -51.14 -54.43 25.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -60.33 -11.88 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 t70 -72.57 140.02 81.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.7 -5.47 16.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -95.54 -40.76 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.41 78.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.592 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 17.3 m120 -96.75 -33.94 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.44 HG22 ' HG3' ' A' ' 84' ' ' LYS . 39.5 mt -78.91 -31.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 103' ' ' LEU . 10.3 tp -53.02 -65.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 79' ' ' ASN . 2.8 p90 -56.23 -50.03 72.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.684 ' HG3' HD11 ' A' ' 33' ' ' LEU . 13.4 ttmt -55.03 -35.44 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 80' ' ' ILE . 28.6 mtmt -70.01 -44.37 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 81' ' ' LEU . 21.4 t -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 24' ' ' LEU . 9.6 mp -74.77 -53.58 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HE3' HD21 ' A' ' 33' ' ' LEU . 16.5 mmtp -56.0 -37.15 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 132.71 -28.25 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.6 mm-40 -34.6 -56.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.03 136.72 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.52 156.0 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HB2' HD13 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.72 -10.59 28.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.43 -37.02 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -84.12 -24.45 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -52.24 -21.68 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.12 -51.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -57.32 -21.4 34.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.4 mtp -49.28 154.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -99.27 156.6 35.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -26.34 27.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.67 -18.32 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -90.75 -41.87 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 81' ' ' LEU . 52.8 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 12' ' ' ILE . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -38.02 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -74.55 -30.79 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.5 mm -49.72 -60.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.78 96.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -49.71 -53.59 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -56.87 -46.32 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 12' ' ' ILE . 46.8 t -50.72 -42.64 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.38 -67.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -45.78 -33.76 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.9 m -67.9 -64.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 52.4 mt -48.17 -47.2 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 20.1 ttpt -56.0 -56.26 22.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.5 t70 -34.74 -60.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 mt -49.7 -63.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -48.95 -33.56 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' CE ' ' HG3' ' A' ' 37' ' ' GLU . 12.0 mtp -71.3 -67.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -24.57 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.02 -57.25 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -56.13 -39.32 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -63.15 -28.75 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.58 -54.9 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -56.66 -177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -98.64 59.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.74 ' HB3' HG13 ' A' ' 35' ' ' VAL . 17.3 mt -106.63 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.4 32.36 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' LEU . 10.4 m -81.71 148.31 61.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 144.58 54.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.411 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 10.1 tt0 -43.17 -46.62 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -43.4 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.38 -53.27 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.17 62.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.2 mttt -53.42 -54.54 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.66 -57.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.99 -43.92 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -61.61 -31.38 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mptm? -76.63 -44.42 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -37.24 -74.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 mp0 -46.8 -56.71 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 21.7 tttt -34.7 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.5 tp10 -92.5 -51.25 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 62' ' ' TYR . 9.0 tp -50.22 -59.66 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.29 -25.54 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -85.71 -15.31 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -94.76 -38.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -90.1 -38.11 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.8 mtt85 60.91 32.15 20.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -171.07 118.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -80.43 55.35 2.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -106.12 -178.46 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -37.1 -65.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.5 mtpt -36.38 -63.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 51' ' ' LEU . 44.7 t80 -39.09 -51.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -65.15 -45.04 86.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.36 -47.77 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.669 ' HD2' HD21 ' A' ' 69' ' ' LEU . 15.6 tppt? -71.2 -54.96 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -44.52 -54.9 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 68' ' ' SER . 7.4 ptm180 -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 39.3 m -76.62 -24.08 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.9 mt -75.31 -42.74 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.883 ' HA ' HD12 ' A' ' 73' ' ' LEU . 11.6 ptm -87.94 -24.71 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 26.2 t80 -54.54 -34.41 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -89.44 -28.83 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 70' ' ' MET . 40.2 mt -62.03 -36.43 81.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 10.8 ptmm? -83.73 -30.09 26.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.8 t0 -36.98 120.28 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.94 29.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -97.15 -18.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 78' ' ' ASN . 7.0 t30 -89.32 -75.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 40.58 41.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.631 HG22 ' CD ' ' A' ' 84' ' ' LYS . 2.4 mm -129.32 -49.5 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 103' ' ' LEU . 8.4 tp -56.72 -52.31 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.512 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -48.32 -41.29 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 15.5 ttmt -76.83 -37.35 55.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.631 ' CD ' HG22 ' A' ' 80' ' ' ILE . 14.1 mtpt -57.47 -53.96 52.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.513 HG21 HD12 ' A' ' 95' ' ' LEU . 25.4 t -59.81 -49.02 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 82' ' ' PHE . 3.9 mp -57.56 -58.17 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -55.93 -31.4 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.97 -23.11 6.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.67 -66.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 91' ' ' THR . 15.9 t -92.59 155.87 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 17.9 p -103.09 150.02 37.46 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.37 25.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 -44.35 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 95' ' ' LEU . 33.6 t60 -70.2 -36.55 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.513 HD12 HG21 ' A' ' 85' ' ' VAL . 4.4 tt -37.21 -40.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.77 -49.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -57.3 -21.89 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.8 mtp -64.47 163.66 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -99.16 159.61 29.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.631 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.5 Cg_endo -69.73 0.86 5.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -107.83 -33.3 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.04 -41.72 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 100' ' ' PRO . 13.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -142.61 147.37 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -115.85 37.23 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.56 -163.91 37.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 p -122.61 40.02 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -92.94 159.64 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.2 150.45 5.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -96.47 121.9 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB1' HH21 ' A' ' 13' ' ' ARG . . . -43.88 -43.71 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.03 -50.98 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -46.74 -61.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.786 ' O ' HG23 ' A' ' 16' ' ' VAL . 79.2 mt -41.02 -53.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 52' ' ' PHE . 31.6 mtt180 -61.33 -47.83 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -51.48 -59.9 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -49.02 -49.66 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 12' ' ' ILE . 95.6 t -43.44 -43.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -54.56 -65.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -52.15 -58.48 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m -39.62 -53.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.08 -64.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -42.0 -36.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.82 -52.19 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 mt -61.24 -59.68 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD22 HD11 ' A' ' 86' ' ' LEU . 30.6 mt -57.66 -12.04 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 37' ' ' GLU . 2.8 mmt -90.89 -51.22 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -17.52 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -89.08 -56.66 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.752 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -57.66 -41.75 82.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.551 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.0 t -58.3 -29.21 65.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -94.9 -11.27 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -97.46 23.5 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m120 45.2 26.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.8 mt -71.17 116.74 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -84.44 37.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 m -90.25 147.93 38.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.64 35.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG3' ' HE3' ' A' ' 25' ' ' MET . 27.1 tt0 -44.22 -31.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.78 -39.86 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.53 -66.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.08 -52.26 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.9 -67.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -38.25 -57.93 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 39' ' ' LYS . 72.0 t -48.45 -52.5 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.38 -66.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.9 m -42.82 -33.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' ILE . 13.8 mmtm -71.36 -48.61 49.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.4 mm -36.83 -48.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' OE2' HG12 ' A' ' 16' ' ' VAL . 8.2 mp0 -67.5 -45.49 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -54.58 -27.51 39.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HB2' HD11 ' A' ' 96' ' ' ILE . 4.0 mm-40 -93.44 -41.21 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.504 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -66.07 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' A' ' 13' ' ' ARG . 38.3 t80 -45.28 -28.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 t -78.85 -67.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -44.35 -37.02 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.59 -37.48 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 60.77 26.03 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -166.56 153.56 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.3 p -110.23 55.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' ALA . 4.1 t70 -99.99 175.07 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -37.55 -57.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -44.44 -58.53 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CE1' HD23 ' A' ' 51' ' ' LEU . 40.4 t80 -41.53 -48.06 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -68.73 -41.41 79.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -51.2 -45.57 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' CG ' HD11 ' A' ' 51' ' ' LEU . 8.2 tppt? -68.4 -43.95 76.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.9 t80 -58.46 -56.99 15.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -60.7 -17.15 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.8 t -88.39 -19.23 26.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.9 mt -86.38 -48.53 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.817 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.4 ptm -76.09 -19.38 58.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.05 -38.44 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -77.83 -6.92 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.4 mt -91.0 -44.34 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 76' ' ' PRO . 8.0 t70 -43.04 139.97 2.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.79 -34.31 14.76 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.75 -48.61 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -79.46 104.68 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -123.98 20.65 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.76 -35.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 81' ' ' LEU . 9.7 tp -45.78 -61.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.946 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.9 p90 -50.3 -27.92 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 22.9 mttt -85.05 -30.21 24.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -64.0 -55.56 21.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.5 t -62.13 -45.55 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.6 mp -60.79 -58.12 9.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -55.96 -40.84 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.07 -18.53 4.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -42.14 -51.05 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.536 HG22 ' CH2' ' A' ' 111' ' ' TRP . 61.4 t -112.02 151.09 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.02 152.91 37.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 111.17 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.11 20.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -98.89 -45.35 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -73.84 -32.59 63.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -46.19 -28.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 50' ' ' GLU . 12.9 mt -76.19 -38.77 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 9.0 mtp-105 -71.59 -19.63 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.4 mtp -59.92 125.83 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -65.47 158.23 74.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -11.52 31.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -98.94 -12.33 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.57 -38.61 11.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 100' ' ' PRO . 9.7 mt -48.42 -24.57 1.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.62 -21.9 17.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.2 t -42.03 -39.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt 43.02 42.76 3.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -91.22 147.72 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.3 tp -103.46 -72.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.48 -30.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.7 64.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.536 ' CH2' HG22 ' A' ' 90' ' ' VAL . 27.3 m95 -46.15 -60.68 2.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -174.98 133.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -91.72 55.03 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -110.65 -32.07 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.7 p -129.67 122.98 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.07 71.99 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.56 16.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.8 t 51.71 45.69 27.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.3 m -85.4 109.35 18.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -151.75 163.58 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -131.15 74.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.64 -36.35 0.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -126.04 118.94 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -83.71 106.61 15.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -132.87 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 t -160.87 115.42 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -42.36 -41.63 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.31 -48.48 76.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.32 -51.56 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' ALA . 78.9 mt -43.52 -58.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -52.4 -47.36 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -53.76 -57.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -52.94 -43.85 66.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 66' ' ' TYR . 55.2 t -52.31 -51.36 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -47.98 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -40.74 -45.33 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.4 m -57.28 -50.24 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 48' ' ' GLU . 61.8 mt -58.58 -45.06 89.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 22.9 ttpp -66.27 -33.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.48 -56.44 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.412 HD11 ' NZ ' ' A' ' 74' ' ' LYS . 50.6 mt -58.43 -65.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 HD22 HD11 ' A' ' 86' ' ' LEU . 14.4 mt -47.45 -36.5 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.443 ' HE1' ' HA ' ' A' ' 37' ' ' GLU . 9.1 mmt -61.01 -34.92 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HA ' HG22 ' A' ' 29' ' ' THR . 1.3 tmtm? -86.88 -26.59 23.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -78.17 -25.71 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -84.75 -34.03 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 26' ' ' LYS . 14.6 t -79.11 -29.88 43.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -34.47 57.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -88.17 -176.05 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -88.26 45.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 83' ' ' LYS . 11.3 mt -103.32 129.81 50.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -105.93 11.88 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.6 149.18 31.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 157.92 58.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HA ' ' HE1' ' A' ' 25' ' ' MET . 29.9 tt0 -64.23 -21.75 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.94 -24.88 59.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE2' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -55.57 -58.52 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.0 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -52.97 -56.82 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -48.87 -47.0 43.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG23 ' HE2' ' A' ' 39' ' ' LYS . 40.3 t -59.34 -62.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.82 -49.91 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -54.86 -36.84 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -75.21 -14.68 60.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.498 HD13 ' CB ' ' A' ' 92' ' ' PRO . 30.4 mm -76.06 -53.38 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.7 -48.94 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -46.77 -31.89 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 93' ' ' ASP . 20.8 tp10 -92.44 -42.94 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.1 tp -56.27 -61.4 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -49.52 -31.31 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -74.61 -63.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -43.84 -54.08 5.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.14 -38.69 60.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 70.91 25.86 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -168.96 164.82 11.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -122.44 56.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.178 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 62' ' ' TYR . 12.1 p-10 -113.6 -173.88 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.89 -51.81 0.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -55.69 -39.24 70.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.6 t80 -64.67 -68.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -51.87 -48.87 63.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.75 -51.01 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 69' ' ' LEU . 14.1 tppt? -66.03 -43.33 87.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.6 t80 -58.78 -62.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 4.2 ptp180 -55.1 -20.5 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -81.27 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.9 mt -41.64 -36.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 73' ' ' LEU . 16.8 ptm -87.06 -32.71 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -39.26 -38.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.402 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 2.7 m-80 -84.61 -35.35 22.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 70' ' ' MET . 56.4 mt -57.71 -47.99 80.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' NZ ' HD11 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -68.8 -15.07 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.45 138.93 96.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -21.35 33.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -81.19 -44.43 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 72' ' ' ASN . 23.9 m120 -68.53 84.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.459 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 2.3 p30 -105.65 -5.4 20.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 ' HZ3' ' A' ' 84' ' ' LYS . 16.7 mt -101.3 -42.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 84' ' ' LYS . 11.6 tp -51.57 -61.77 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.5 p90 -49.82 -20.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 20.3 mttm -90.29 -33.09 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.712 ' HE2' HD12 ' A' ' 81' ' ' LEU . 33.0 mtmm -70.21 -37.87 75.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.22 -40.63 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -70.9 -56.28 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -56.27 -49.37 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 141.5 -26.26 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLY . 32.5 mt-10 -36.08 -37.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.58 124.76 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 p -76.03 150.42 83.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.498 ' CB ' HD13 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.77 -30.03 22.86 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' CB ' ' HG2' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.0 -22.99 44.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' ARG . 33.5 t60 -90.17 -31.71 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' HD13 ' A' ' 69' ' ' LEU . 44.6 tp -46.69 -20.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.23 -34.07 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' HIS . 52.2 mtt85 -74.89 -22.33 58.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 36.8 mtp -58.56 158.94 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -85.04 151.15 56.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.5 Cg_endo -69.77 -16.1 37.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -96.44 -11.36 25.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -90.22 -29.16 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 100' ' ' PRO . 7.9 mt -58.84 -19.54 42.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.75 -35.86 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -46.07 143.05 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -116.56 52.68 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.62 142.97 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -126.11 -11.13 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.512 ' N ' HD22 ' A' ' 108' ' ' LEU . . . -82.42 -14.6 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' ARG . 21.9 m95 -60.95 148.59 39.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 112' ' ' ARG . 8.8 ttp-105 -34.49 -58.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.8 tpt180 -36.09 134.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -109.42 127.25 54.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t 47.78 49.15 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.26 -75.73 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.6 Cg_endo -69.74 -15.27 37.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 117' ' ' PRO . 9.1 t -35.93 -54.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.2 t -58.62 110.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -104.42 84.22 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -63.7 158.35 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.92 139.32 4.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 m -139.42 135.57 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m -58.35 94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.97 137.47 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -114.06 159.23 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -62.15 -42.21 99.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -28.89 66.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 16' ' ' VAL . 92.9 mt -63.56 -73.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -47.23 -32.91 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.43 -65.55 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -46.49 -35.29 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 12' ' ' ILE . 72.0 t -49.7 -59.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 20.9 mtm180 -36.24 -65.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -38.68 -53.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' ASP . 1.3 t -52.32 -67.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD12 ' OE1' ' A' ' 48' ' ' GLU . 63.6 mt -38.72 -45.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.37 -38.8 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' SER . 9.3 t0 -54.29 -49.85 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 48.1 mt -64.28 -60.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HB3' HD11 ' A' ' 86' ' ' LEU . 13.8 mt -53.53 -28.74 33.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 mmt -68.56 -31.36 70.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -91.96 -33.63 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 19.8 mmm180 -71.14 -24.64 62.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -90.96 -32.81 15.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -75.32 -26.69 58.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -84.19 -36.41 22.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.5 p -77.45 -176.26 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -88.71 40.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.03 129.93 46.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -106.99 20.19 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -64.45 149.0 95.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.45 27.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.06 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -69.34 -33.52 73.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.57 -51.11 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -54.98 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' ALA . 27.7 mttp -35.26 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.562 HG11 ' CG1' ' A' ' 85' ' ' VAL . 43.2 t -61.53 -59.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.98 -43.79 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -62.79 -26.75 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ILE . 7.4 mmtp -81.61 -47.46 13.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LYS . 8.5 mm -36.9 -69.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.65 -40.28 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -56.69 -38.01 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HB2' HD11 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -83.19 -41.72 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.9 tp -64.37 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -56.87 -32.58 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.1 t -78.44 -22.67 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -81.01 -45.72 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.18 -19.64 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 54.62 26.84 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 58' ' ' THR . 65.9 t0 -173.38 142.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.488 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 p -93.48 55.31 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -98.15 -175.14 3.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.13 -41.49 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -59.99 -20.06 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.851 ' CE2' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -91.41 -46.15 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.93 -48.91 79.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -47.01 -47.56 22.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HG3' HD11 ' A' ' 51' ' ' LEU . 11.8 tppt? -65.55 -40.04 92.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -56.78 -64.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 67' ' ' ARG . 1.5 ptp180 -51.75 -35.76 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.5 t -63.81 -35.91 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD22 ' HG ' ' A' ' 95' ' ' LEU . 16.2 mt -65.39 -51.51 59.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 73' ' ' LEU . 8.7 ptm -75.3 -19.28 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -59.9 -32.24 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' CG ' ' HB3' ' A' ' 103' ' ' LEU . 8.1 m-80 -91.3 -7.33 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 70' ' ' MET . 30.1 mt -95.19 -33.78 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.65 -24.14 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.45 136.01 91.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -29.88 23.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -73.78 -2.04 21.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 34.0 t-20 -131.85 112.74 12.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -130.44 24.39 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' LYS . 12.7 mt -114.92 -53.73 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 10.7 tp -36.64 -60.64 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.657 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -52.38 -33.72 44.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 31.8 mtpt -74.33 -39.15 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' CD ' ' HE1' ' A' ' 111' ' ' TRP . 19.5 mtmt -70.38 -35.66 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.562 ' CG1' HG11 ' A' ' 43' ' ' VAL . 87.9 t -67.98 -36.35 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.7 mp -82.31 -49.61 9.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -59.09 -45.48 90.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.79 -22.11 4.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -43.45 -25.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.744 HG22 ' CH2' ' A' ' 111' ' ' TRP . 19.9 t -126.72 140.31 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.71 148.66 35.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -5.45 16.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.84 -17.55 14.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -99.22 -32.65 11.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.6 tp -47.09 -27.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 50' ' ' GLU . 28.8 mt -74.92 -53.31 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -54.15 -24.02 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 43.3 mtp -53.04 140.65 24.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -80.71 156.3 72.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.71 -1.94 9.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -103.93 -31.4 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.99 -43.12 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt -42.8 -42.42 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -78.16 -45.07 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 104' ' ' ALA . 12.8 t -35.14 146.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -121.47 47.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.79 147.32 26.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -42.0 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.2 -23.04 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.55 -54.06 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.744 ' CH2' HG22 ' A' ' 90' ' ' VAL . 25.1 m95 -67.32 151.72 46.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -63.38 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -110.0 35.53 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -67.5 -56.67 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 90.2 p -129.83 100.94 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.36 147.18 50.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 179.18 3.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 m -77.55 83.54 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.9 p -83.75 160.59 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 p -156.09 161.74 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -128.75 -47.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.76 -93.37 2.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t 45.29 40.06 4.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.349 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -125.49 122.27 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.15 -44.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -86.3 151.91 23.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.48 -57.87 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.75 -46.82 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.82 -48.71 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 16' ' ' VAL . 78.5 mt -48.18 -52.88 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 11.6 mtp-105 -59.48 -48.36 81.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -56.57 -42.77 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' VAL . 22.6 t -64.84 -57.29 9.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 12' ' ' ILE . 62.0 t -34.51 -50.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' HIS . 59.3 mtt180 -46.63 -71.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' ARG . 2.4 t-160 -35.22 -59.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.43 -51.06 5.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.49 -54.46 35.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' CD ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 ttpm? -55.73 -25.17 39.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.21 -41.47 77.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.4 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD22 HD11 ' A' ' 86' ' ' LEU . 30.9 mt -51.94 -19.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.9 mmt -71.72 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -66.77 -23.18 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 82' ' ' PHE . 26.8 mmm180 -78.6 -43.17 27.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.3 pp -75.75 -42.02 51.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -63.33 -23.26 67.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -91.09 -25.49 19.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.2 t -95.45 160.5 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -55.3 -17.43 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.586 ' HB3' HG13 ' A' ' 35' ' ' VAL . 63.9 mt -38.82 -57.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 50.97 26.62 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 28' ' ' LEU . 18.4 m -65.87 151.26 95.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 139.28 40.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 22.8 tt0 -42.21 -29.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.68 -45.1 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -60.66 -68.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.55 -44.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' CD ' ' A' ' 21' ' ' LYS . . . -69.16 -37.64 78.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . 27.3 mtmt -58.78 -41.61 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.38 -61.62 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.73 -49.67 37.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.5 m -50.22 -39.33 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 4.1 mptt -73.7 -46.68 44.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' LYS . 27.2 mm -37.55 -66.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.99 -52.47 65.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -38.64 -44.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -82.65 -43.67 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.969 HD23 ' CE1' ' A' ' 62' ' ' TYR . 4.5 tp -59.34 -68.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 74.2 t80 -39.92 -30.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -78.58 -50.2 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -51.55 -65.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.35 -24.58 65.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 51.48 31.29 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -172.57 149.77 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -100.62 54.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 60' ' ' ALA . 23.9 t70 -97.93 170.96 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.7 -49.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 28.5 mttt -48.68 -61.3 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.969 ' CE1' HD23 ' A' ' 51' ' ' LEU . 68.9 t80 -34.67 -58.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 56.6 mttt -58.67 -53.38 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' LYS . 8.3 t30 -37.0 -49.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.707 ' HD2' HD21 ' A' ' 69' ' ' LEU . 16.8 tppt? -69.63 -54.9 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -43.35 -55.02 4.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' SER . 8.4 ptp180 -57.3 -36.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 3.9 m -67.68 -39.8 84.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 65' ' ' LYS . 61.6 mt -59.65 -39.36 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.5 ptm -89.51 -23.15 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -53.26 -40.48 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.2 m-80 -81.44 -18.02 46.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -80.62 -45.42 17.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -70.49 -42.52 71.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.06 138.16 7.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -41.17 4.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -55.22 -24.99 30.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 m120 -100.54 97.29 8.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 11.1 p30 -120.86 25.24 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.431 HG22 ' CE ' ' A' ' 84' ' ' LYS . 25.0 mm -123.57 -32.69 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD21 HD22 ' A' ' 103' ' ' LEU . 10.2 tp -63.27 -62.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.945 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.8 p90 -41.78 -30.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 33' ' ' LEU . 15.3 ttmm -84.74 -68.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 40.0 mtmt -34.27 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 81' ' ' LEU . 48.1 t -68.4 -49.77 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.945 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.5 mp -64.83 -53.5 45.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -55.98 -32.63 64.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 123.46 -28.71 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 39.9 mm-40 -34.62 -44.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -118.6 133.76 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.1 p -85.13 148.33 50.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -15.17 37.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -32.9 15.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -85.97 -29.85 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 95' ' ' LEU . 4.8 tt -47.59 -22.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.8 mt -79.14 -45.65 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -71.28 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.436 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 mmm -63.29 162.89 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -95.27 155.36 38.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -14.44 36.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -103.11 -11.33 18.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -88.54 -34.1 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 81' ' ' LEU . 9.2 mt -56.26 -29.32 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.23 11.07 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -78.68 111.25 14.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.02 -44.55 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -41.88 157.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -114.93 -46.33 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -44.38 -43.05 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -39.61 -41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 29.0 m95 -54.49 -65.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -156.29 150.12 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -92.98 151.92 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -118.34 -66.94 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.8 m 58.05 53.32 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.25 -157.82 11.23 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.91 4.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 m -79.95 52.12 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p 43.42 45.14 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.522 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -76.59 143.41 40.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -156.51 120.25 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.06 127.86 4.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -173.97 174.11 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.365 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -67.03 -55.01 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.36 141.79 14.92 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -75.56 97.21 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.06 -41.09 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.27 -31.5 53.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' ILE . 28.0 tp60 -72.97 -59.22 2.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 16' ' ' VAL . 80.3 mt -37.7 -45.94 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -67.69 -47.21 70.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -53.77 -54.13 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -38.72 65.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 12' ' ' ILE . 86.8 t -57.85 -40.83 78.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' A' ' 45' ' ' THR . 66.7 mtt180 -62.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 19' ' ' SER . 16.0 m170 -44.86 -62.7 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.2 t -36.77 -64.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -42.53 -57.64 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -53.86 -30.86 47.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.96 -48.37 76.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.546 HD11 ' HE3' ' A' ' 74' ' ' LYS . 44.5 mt -65.02 -63.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD22 ' CD1' ' A' ' 86' ' ' LEU . 34.0 mt -49.43 -25.77 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.1 mmt -69.97 -65.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -15.66 58.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -87.45 -34.21 18.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.1 pp -84.0 -40.77 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.463 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.7 t -61.2 -23.22 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.76 -39.14 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -76.09 173.14 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 38.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 8.3 mt -84.33 -56.69 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt 59.2 45.74 13.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG21 HD23 ' A' ' 86' ' ' LEU . 34.7 m -96.5 151.89 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 144.99 55.96 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -45.91 -38.6 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -48.6 -38.43 20.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -66.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.05 -60.53 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.73 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 37.1 mtpt -39.38 -54.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 85' ' ' VAL . 45.8 t -57.26 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.23 -34.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 ' NH1' ' A' ' 17' ' ' ARG . 20.2 m -67.96 -38.71 83.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -71.53 -45.06 63.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.428 HG22 ' OE2' ' A' ' 48' ' ' GLU . 4.9 mm -37.24 -60.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' OE2' HG22 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -67.59 -45.53 75.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -43.83 -32.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -44.02 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.858 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.5 tp -58.58 -59.5 5.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -45.91 -38.94 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.8 t -73.39 -48.39 34.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -54.33 -44.59 72.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.63 -17.0 27.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 38.07 32.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 1.3 p30 -174.6 141.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -94.34 59.11 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -95.43 170.36 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.55 -44.26 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' TYR . 24.0 mtmt -56.06 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.858 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.5 t80 -34.68 -64.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -57.78 -51.93 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -41.27 -40.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.52 -43.43 60.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.709 ' CE1' HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -52.96 -17.37 1.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.1 t -87.9 -57.35 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.794 HD11 ' HA ' ' A' ' 96' ' ' ILE . 22.1 mt -49.82 -32.24 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 73' ' ' LEU . 20.8 ptm -89.33 -23.26 22.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -37.79 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.13 -37.13 78.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 70' ' ' MET . 53.6 mt -53.93 -58.43 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 23' ' ' ILE . 9.6 ptpp? -69.31 -33.15 72.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.6 t70 -38.31 134.53 0.92 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -26.51 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -80.92 -36.22 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -99.02 98.78 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -121.71 40.06 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' A' ' 84' ' ' LYS . 11.0 mt -129.65 -50.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' HD23 ' A' ' 73' ' ' LEU . 10.4 tp -36.46 -63.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.768 ' O ' HD13 ' A' ' 86' ' ' LEU . 5.3 p90 -39.79 -39.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 19.5 tttm -79.11 -44.67 21.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HG3' HG22 ' A' ' 80' ' ' ILE . 26.0 mttt -51.36 -43.79 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.542 HG11 HG11 ' A' ' 43' ' ' VAL . 40.6 t -68.1 -57.94 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 82' ' ' PHE . 6.8 mp -49.67 -53.09 26.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 33' ' ' LEU . 1.8 mmmp? -61.73 -41.33 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 131.48 -26.49 3.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLY . 5.5 mm-40 -36.21 -50.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.514 HG22 ' CH2' ' A' ' 111' ' ' TRP . 21.9 t -106.75 126.86 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 147.05 64.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.95 35.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -95.03 -24.81 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' ARG . 22.7 t60 -88.35 -37.61 15.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 81' ' ' LEU . 16.3 tp -41.07 -27.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.794 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.6 mt -77.65 -42.5 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 94' ' ' HIS . 51.0 mtp180 -69.82 -24.26 63.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.1 mtp -58.98 138.38 57.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.63 150.8 95.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.585 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.83 -12.23 32.34 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.361 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -101.79 -30.08 11.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' SER . 34.1 mm-40 -73.12 -40.35 65.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 100' ' ' PRO . 10.4 mt -44.4 -26.74 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.77 -32.2 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 102' ' ' GLU . 3.6 t -55.23 111.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -77.52 67.8 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' C ' HD22 ' A' ' 108' ' ' LEU . 5.7 mm-40 -107.87 130.61 54.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.464 HD22 ' C ' ' A' ' 107' ' ' GLU . 0.8 OUTLIER -109.66 -56.73 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 108' ' ' LEU . . . -34.81 -41.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -36.69 -59.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.514 ' CH2' HG22 ' A' ' 90' ' ' VAL . 20.9 m95 -46.44 148.43 0.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -119.05 -49.42 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.26 111.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 115' ' ' SER . 16.2 tpt180 -82.61 88.53 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' ARG . 2.7 m -35.86 -50.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.77 161.23 5.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 90.73 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 t -89.9 143.75 26.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.0 t -51.96 -61.78 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -48.91 147.74 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -172.67 170.89 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.01 -110.16 3.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -43.9 -42.91 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -118.57 127.24 53.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.81 148.53 17.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.8 m -65.9 94.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.65 -50.41 3.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.46 -28.27 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -68.74 -37.44 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.11 -70.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -43.86 -38.97 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -49.71 -38.66 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.697 HG13 ' CE1' ' A' ' 66' ' ' TYR . 69.6 t -50.66 -43.22 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -53.51 -62.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -47.87 -54.13 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.2 m -46.57 -67.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -43.08 -60.91 1.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' ASP . 29.9 ttpt -45.79 -58.0 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.6 t70 -34.36 -59.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.9 mt -50.77 -64.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 86' ' ' LEU . 33.0 mt -48.72 -32.44 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.538 ' SD ' ' HB3' ' A' ' 40' ' ' ALA . 62.6 mmm -72.86 -38.36 67.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -20.06 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 25.0 mmm180 -90.92 -18.97 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -95.67 -37.31 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.484 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -70.56 -23.97 62.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.81 -44.59 7.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -68.72 -179.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.94 41.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.42 139.13 40.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -122.48 27.66 7.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.34 149.57 98.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.51 67.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -50.27 -29.8 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.41 -39.56 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -43.29 -64.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' HB3' ' SD ' ' A' ' 25' ' ' MET . . . -59.75 -59.22 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.95 -32.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -74.61 -41.13 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 39' ' ' LYS . 97.9 t -57.63 -65.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.14 -51.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.7 m -51.54 -41.13 60.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CD ' ' HG3' ' A' ' 92' ' ' PRO . 72.4 mttt -70.2 -23.06 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 92' ' ' PRO . 34.0 mm -69.36 -51.61 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -38.65 -32.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -46.55 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD23 ' CE2' ' A' ' 62' ' ' TYR . 3.6 tp -64.06 -61.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -48.7 -24.75 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.6 t -82.65 -59.48 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -52.21 -37.43 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 39.4 m-85 -89.56 -21.07 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.1 ptp180 42.68 30.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -174.86 151.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 45.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 35.2 t0 -83.53 168.15 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -36.68 -52.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' TYR . 29.5 mtmt -46.3 -65.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.796 ' CE2' HD23 ' A' ' 51' ' ' LEU . 18.9 t80 -35.96 -44.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.86 -57.11 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -37.56 -42.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -72.62 -49.08 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -53.94 -60.27 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' PHE . 39.4 ptt85 -49.82 -42.02 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.5 t -64.54 -47.69 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -38.88 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.58 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.5 ppp? -88.27 -13.75 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 35.6 t80 -66.8 -47.65 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -69.56 -34.73 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 70' ' ' MET . 95.2 mt -55.9 -44.4 78.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.81 -35.9 32.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -39.4 134.92 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -37.24 9.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.622 2.215 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -63.61 -41.15 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.88 98.5 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -121.22 30.35 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.04 -43.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.741 HD21 HD22 ' A' ' 103' ' ' LEU . 10.6 tp -45.86 -69.3 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.0 p90 -40.78 -45.69 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 34.0 ttmt -60.38 -60.19 4.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.456 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 46.0 mtmt -48.54 -33.2 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.1 t -69.94 -62.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 24' ' ' LEU . 10.0 mp -51.95 -51.48 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -57.65 -37.98 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 129.23 -28.58 4.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' GLY . 17.4 mt-10 -34.78 -47.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -111.62 141.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.64 144.2 27.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' ILE . 54.0 Cg_endo -69.73 -4.79 14.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -106.42 -16.75 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -94.84 -29.93 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.9 tp -46.64 -27.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 mt -76.79 -43.01 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -66.34 -22.6 66.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 53.9 mmm -58.85 171.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -106.35 156.24 37.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.715 0.769 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.21 25.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -106.9 -24.03 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -80.1 -37.6 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD22 HD21 ' A' ' 81' ' ' LEU . 14.3 mt -49.1 -28.68 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.42 -35.61 16.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 t -41.41 108.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -88.04 69.34 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -116.78 105.09 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.76 -23.26 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -86.82 32.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.5 -41.6 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.456 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 25.4 m95 -55.42 145.96 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -52.37 171.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.87 46.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -63.21 -47.66 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -134.27 172.82 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -84.29 144.13 21.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.75 33.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.1 p -174.11 106.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 p -77.11 156.38 31.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.15 142.53 40.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -98.3 106.74 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.24 -140.6 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m 61.16 41.62 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -115.35 143.53 45.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.61 -170.07 10.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t 72.76 35.63 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.02 -43.58 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -43.73 81.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -54.53 -52.42 62.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -48.05 -57.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -59.82 -54.06 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -46.2 -48.61 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 t -54.72 -47.41 73.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.7 t -44.6 -46.2 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' NE ' ' OG1' ' A' ' 45' ' ' THR . 41.7 mtp180 -46.44 -58.16 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' SER . 6.9 t-160 -54.12 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 3.8 m -36.38 -54.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -57.17 -63.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.3 ttpt -44.37 -35.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.94 -54.6 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.546 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 55.3 mt -59.22 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.81 HD22 HD11 ' A' ' 86' ' ' LEU . 29.1 mt -48.1 -35.41 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.454 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.4 mmt -58.2 -34.75 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -91.82 -28.9 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -76.15 -20.63 57.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -94.2 -36.96 11.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 26' ' ' LYS . 6.1 t -68.31 -30.83 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -37.11 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -77.81 170.72 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.21 49.79 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 mt -94.77 -65.02 1.01 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? 70.7 42.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.38 152.24 42.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.27 42.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 13.9 tt0 -42.37 -32.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.73 -43.5 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.11 -69.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.83 -60.16 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -41.05 -53.97 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -54.91 -58.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.17 -47.91 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.432 ' OG1' ' NE ' ' A' ' 17' ' ' ARG . 15.8 m -58.89 -24.6 62.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -90.98 -11.14 39.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 HG22 ' OE1' ' A' ' 48' ' ' GLU . 48.7 mm -73.26 -43.85 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.4 -52.39 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' GLU . 22.8 pttt -37.41 -38.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 96' ' ' ILE . 7.8 tp10 -89.96 -30.19 17.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -64.62 -61.15 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -53.46 -36.11 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.6 t -75.74 -36.07 60.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.94 -56.72 14.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -78.03 -38.67 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 73.55 29.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.84 146.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.7 p -100.8 57.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.3 m-20 -105.76 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.4 -66.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' ASN . 32.8 mtmt -37.86 -62.48 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.884 ' CE1' HD23 ' A' ' 51' ' ' LEU . 82.5 t80 -36.52 -52.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -29.73 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' LYS . 34.0 t-20 -63.74 -28.35 69.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -83.31 -39.74 20.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CZ ' ' SD ' ' A' ' 70' ' ' MET . 3.1 t80 -62.9 -61.18 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -50.38 -28.62 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 t -77.56 -51.45 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 96' ' ' ILE . 8.0 mt -52.42 -38.5 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.546 ' HE2' ' CD1' ' A' ' 23' ' ' ILE . 5.0 ptm -84.48 -37.92 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -45.39 -34.68 3.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -87.0 -26.02 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' MET . 55.3 mt -68.51 -50.92 48.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -76.72 -17.23 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -50.68 128.96 26.95 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.71 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -26.78 27.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -78.02 -31.57 50.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.7 115.15 28.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.63 48.63 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 84' ' ' LYS . 19.8 mm -131.04 -57.9 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.487 HD21 HD11 ' A' ' 95' ' ' LEU . 12.1 tp -43.61 -63.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.868 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.2 p90 -41.95 -26.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -93.1 -33.75 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HG3' HG22 ' A' ' 80' ' ' ILE . 36.5 mtmt -68.66 -39.04 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 95' ' ' LEU . 77.3 t -73.47 -38.49 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.2 mp -71.64 -54.0 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -57.6 -44.1 85.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 137.62 -27.38 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.7 mm-40 -34.55 -48.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.6 t -114.81 146.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -93.57 155.05 41.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.35 30.84 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.9 -42.19 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ARG . 19.7 t60 -74.64 -35.29 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 85' ' ' VAL . 53.4 tp -44.79 -23.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.549 HG21 HD12 ' A' ' 51' ' ' LEU . 10.9 mt -84.55 -34.0 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 94' ' ' HIS . 13.1 ptm180 -103.9 34.74 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.1 mtp -97.21 140.37 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -46.96 144.47 3.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -8.3 23.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -103.13 -13.48 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -84.26 -32.15 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.7 mt -51.57 -38.96 56.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -90.69 -39.6 12.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' ALA . 23.1 t -36.26 143.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -123.75 43.59 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -96.66 118.76 33.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.702 ' H ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -109.67 5.2 22.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.45 -16.45 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -45.26 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.547 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 32.7 m95 -45.21 130.61 7.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -69.62 -177.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.03 -177.18 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.78 167.83 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 m -96.01 166.52 11.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.88 145.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 122.64 9.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.5 t -51.37 109.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -66.0 157.35 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 69.21 40.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -110.74 116.58 31.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 -134.97 9.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -38.67 127.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -68.52 -59.14 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.59 -156.27 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -145.83 145.97 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.11 -63.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.03 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -43.54 -48.62 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 16' ' ' VAL . 85.8 mt -54.98 -54.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -57.72 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.65 -45.67 81.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -56.47 -42.71 78.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 20' ' ' LEU . 77.1 t -51.68 -53.84 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 31.9 mtm-85 -42.97 -61.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -52.22 -61.3 2.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -43.45 -62.39 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 HG12 ' A' ' 16' ' ' VAL . 80.1 mt -50.6 -63.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ASP . 21.7 ttpt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.5 t0 -35.07 -58.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD12 ' HE2' ' A' ' 70' ' ' MET . 29.3 mt -48.77 -56.52 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' CD1' ' A' ' 86' ' ' LEU . 52.4 mt -58.94 -32.43 69.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.463 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 12.4 mtp -74.92 -25.75 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.04 -32.19 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -79.21 -24.03 43.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -86.75 -40.51 14.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -63.88 -19.94 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -89.37 -53.98 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -66.55 -179.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -91.51 47.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.43 126.55 38.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tptm -99.9 9.43 42.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 m -56.65 151.12 32.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HB2' ' CD ' ' A' ' 38' ' ' GLU . 53.8 Cg_endo -69.77 163.89 36.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' HG3' ' HE1' ' A' ' 25' ' ' MET . 19.6 tt0 -61.65 -47.83 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 36' ' ' PRO . 7.3 pm0 -51.9 -38.58 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.06 -58.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -68.51 -65.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -39.31 -49.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 39' ' ' LYS . 50.2 t -54.62 -58.39 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.5 -38.63 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.1 m -70.34 -25.54 63.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 92' ' ' PRO . 20.1 mmtt -80.44 -38.22 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mm -48.24 -55.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CD ' ' CG1' ' A' ' 16' ' ' VAL . 1.4 mp0 -65.09 -58.38 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' GLU . 37.3 tttp -34.6 -37.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' GLU . 6.7 tp10 -91.5 -44.61 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.705 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.4 tp -54.74 -59.11 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.67 -34.22 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.0 t -77.92 -18.75 55.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -93.57 -32.52 14.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.6 -15.01 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 43.83 29.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -172.6 155.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.3 p -110.89 46.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.39 -174.93 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.24 -45.17 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -33.77 62.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.705 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.7 t80 -68.41 -61.87 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -48.01 76.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' A' ' 51' ' ' LEU . 4.3 tppp? -80.12 -48.04 13.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.13 -50.52 64.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -63.96 -35.02 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 12.8 t -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 mt -66.88 -43.75 82.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.881 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.8 ptm -81.44 -14.03 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.0 -35.18 69.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.91 -11.32 59.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 70' ' ' MET . 19.1 mt -89.26 -42.15 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -19.67 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.21 130.51 91.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.99 25.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -5.17 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -130.32 77.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -103.03 51.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -134.98 -51.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.3 tp -47.02 -61.05 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -38.53 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LEU . 36.5 ttmt -92.55 -63.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HE3' HD12 ' A' ' 81' ' ' LEU . 54.2 mtmt -34.23 -42.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.1 t -67.29 -60.47 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.4 mp -51.55 -52.63 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.72 -43.58 80.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 136.5 -29.72 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' GLY . 6.0 mm-40 -35.43 -46.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' LYS . 84.2 t -117.58 150.35 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.08 159.75 28.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 46' ' ' LYS . 53.6 Cg_endo -69.76 -21.93 32.82 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -82.95 -57.66 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.58 -29.19 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -47.73 -20.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.07 -47.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -62.03 -19.04 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -61.33 161.58 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 156.42 58.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -5.55 16.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.272 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -79.84 -24.63 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.71 -29.9 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.57 1.52 46.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 m -81.61 109.21 15.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -85.57 71.12 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -127.01 112.32 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 111' ' ' TRP . 24.5 mt -106.72 37.75 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.63 -25.51 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.6 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 17.5 m95 -47.01 120.24 2.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' TRP . 6.4 tpt180 -34.88 -37.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -73.18 83.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -66.74 -57.96 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -90.69 117.78 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -154.15 -179.12 29.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 98.32 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -128.96 157.8 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 p -101.15 165.55 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 p -58.37 116.19 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -43.96 107.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.88 179.03 47.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.0 p -94.49 166.67 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 48.7 m 36.91 41.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.7 -86.4 1.89 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -122.61 41.17 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -65.57 -62.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.82 -46.82 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -53.42 -45.28 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 9' ' ' ALA . 53.0 mt -57.3 -54.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.64 ' NH1' ' CD2' ' A' ' 52' ' ' PHE . 74.6 mtm180 -57.11 -55.35 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 14' ' ' GLN . 7.4 tm0? -39.95 -50.3 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.2 t -55.28 -47.99 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.741 HG11 ' CD ' ' A' ' 48' ' ' GLU . 58.8 t -48.92 -45.02 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -53.81 -66.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -44.8 -59.74 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -41.52 -49.97 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.8 -57.01 14.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' MET . 36.6 ttpt -54.31 -28.81 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.71 -44.95 92.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.03 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 86' ' ' LEU . 57.1 mt -51.76 -17.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 2.8 mmt -78.9 -55.71 4.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -21.71 64.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.95 -39.69 23.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -78.59 -41.32 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 28' ' ' LEU . 3.9 t -58.72 -32.07 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.16 -53.61 7.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -60.23 -178.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.34 49.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -106.85 122.53 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -100.86 30.36 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.36 147.19 95.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.653 0.739 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.15 46.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -42.94 -37.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.88 -46.2 82.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -39.0 -62.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.31 -50.04 63.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.99 -69.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -37.47 -48.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 39' ' ' LYS . 51.2 t -54.89 -58.48 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.66 -34.89 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -60.01 -30.37 69.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ILE . 58.9 mttt -85.82 -39.27 17.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.504 HD12 HD23 ' A' ' 95' ' ' LEU . 47.1 mm -36.59 -55.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.741 ' CD ' HG11 ' A' ' 16' ' ' VAL . 28.1 mm-40 -76.53 -34.41 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -49.92 -40.99 45.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -85.32 -43.45 13.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.8 tp -55.72 -60.93 2.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD2' ' NH1' ' A' ' 13' ' ' ARG . 20.4 t80 -42.15 -43.35 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -71.41 -64.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -39.39 -52.94 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -76.54 -48.49 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 74.7 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -171.54 159.3 5.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 p -119.66 47.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 60' ' ' ALA . 1.4 m-20 -97.1 177.61 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -34.27 -65.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' TYR . 20.7 mtmm -37.4 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.716 ' CE1' HD23 ' A' ' 51' ' ' LEU . 55.8 t80 -34.43 -55.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.64 -49.31 71.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -41.62 -48.02 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HG2' HD11 ' A' ' 51' ' ' LEU . 12.2 tppt? -64.08 -50.24 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.686 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -56.09 -65.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 68' ' ' SER . 9.3 ptm180 -47.64 -37.37 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 16.9 m -69.12 -40.93 78.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 96' ' ' ILE . 9.6 mt -60.59 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.56 ' HA ' HD12 ' A' ' 73' ' ' LEU . 26.4 ptm -72.94 -30.18 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.04 -39.03 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -80.52 -25.62 38.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 70' ' ' MET . 87.6 mt -71.45 -43.8 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -73.45 -20.27 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.61 127.83 88.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.723 . . . . 0.0 110.896 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -33.36 16.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' NZ ' ' HB1' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -54.66 -32.08 58.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -110.36 79.82 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.3 p30 -98.91 47.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.4 mt -128.14 -46.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.2 tp -47.21 -67.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.721 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -40.11 -34.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -76.75 -46.0 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.709 ' HE3' HD12 ' A' ' 81' ' ' LEU . 56.6 mtmt -59.15 -36.92 76.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.75 -58.62 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 82' ' ' PHE . 11.0 mp -56.15 -45.78 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -63.24 -44.87 94.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.68 -27.52 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -39.49 -34.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.439 HG22 ' CH2' ' A' ' 111' ' ' TRP . 43.2 t -124.23 147.65 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.85 152.25 38.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.709 . . . . 0.0 111.114 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.18 25.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 2.8 p30 -95.77 -37.06 10.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' ILE . 30.8 t60 -80.81 -33.75 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 47' ' ' ILE . 19.6 tp -41.76 -25.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.689 ' HA ' HD11 ' A' ' 69' ' ' LEU . 8.2 mt -72.74 -70.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -39.72 -33.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.9 mtp -55.74 125.88 23.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -71.88 160.08 83.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.676 0.75 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.56 8.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -95.81 -25.78 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.58 -43.97 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.703 HD22 HD21 ' A' ' 81' ' ' LEU . 73.9 mt -40.95 -44.17 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.604 ' HB1' ' NZ ' ' A' ' 77' ' ' LYS . . . -79.49 -39.5 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' ALA . 16.0 p -35.08 130.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' GLU . 14.1 tttp -83.57 -38.12 22.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 106' ' ' LYS . 20.3 mt-10 -34.51 106.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 109' ' ' ALA . 5.2 tt -92.59 -51.78 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 108' ' ' LEU . . . -34.68 -38.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -35.87 -46.65 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.439 ' CH2' HG22 ' A' ' 90' ' ' VAL . 24.0 m95 -46.53 150.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -79.69 -47.15 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -60.8 96.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -57.18 111.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 t -142.99 -177.72 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 168.7 143.34 3.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.428 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.68 54.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.4 t -69.51 -59.34 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -44.77 -55.52 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -89.6 115.7 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 110.81 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -123.24 120.78 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.97 124.38 36.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -100.45 160.7 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -79.14 95.39 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.7 127.77 7.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m -161.25 166.34 27.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -58.46 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -53.28 -55.13 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -50.5 -64.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 13.1 mtp-105 -50.02 -46.82 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -55.48 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 t -48.86 -41.54 33.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 66' ' ' TYR . 97.0 t -53.29 -48.19 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -56.25 -71.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -46.33 -59.37 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 20.9 m -37.92 -59.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' OE2' ' A' ' 48' ' ' GLU . 47.2 mt -54.33 -65.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.1 ttpt -47.11 -28.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.52 -52.24 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 55.4 mt -64.22 -54.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.4 mt -60.0 -17.18 36.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.6 mmt -81.57 -33.31 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -93.72 -19.29 21.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 78' ' ' ASN . 19.3 mmm180 -86.34 -20.98 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.62 -33.18 15.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 26' ' ' LYS . 9.4 t -69.44 -33.37 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.78 -38.51 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 m -80.76 168.68 18.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -79.38 49.6 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' HE2' ' A' ' 83' ' ' LYS . 23.2 mt -102.77 128.93 49.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -108.41 29.35 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 m -72.5 147.15 89.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.39 57.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -47.17 -34.73 6.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -44.34 91.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -68.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.21 -56.04 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -50.53 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 41' ' ' ALA . 29.4 mtpt -36.04 -51.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -53.82 -55.58 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.88 -56.55 13.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -49.99 -30.02 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -77.91 -44.85 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.535 HD12 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -41.8 -56.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HG3' HG11 ' A' ' 16' ' ' VAL . 11.5 mp0 -69.75 -53.43 18.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 35.3 tttt -35.26 -39.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -89.68 -37.49 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' CE2' ' A' ' 62' ' ' TYR . 5.8 tp -62.2 -58.82 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -50.86 -40.45 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.4 t -72.36 -39.27 68.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.91 -61.1 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -75.34 -33.21 61.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 9.4 ttm105 66.58 29.35 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 7.6 m-20 -174.74 164.04 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.1 p -113.27 48.33 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.25 -177.44 6.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.65 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -76.21 -65.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.742 ' CE2' HD23 ' A' ' 51' ' ' LEU . 5.4 t80 -41.93 -44.05 3.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -70.63 -45.45 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -52.99 -36.33 60.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' CG ' HD11 ' A' ' 51' ' ' LEU . 14.9 tppt? -70.84 -51.11 28.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.494 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -52.75 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -51.59 -29.4 17.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.6 t -80.88 -25.79 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.37 -35.9 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.448 ' CE ' ' CD1' ' A' ' 23' ' ' ILE . 2.2 ppp? -89.38 -19.97 24.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -58.43 -32.08 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -78.85 -53.09 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.7 mt -42.07 -55.6 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 21.5 ptmt -58.51 -38.61 78.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -39.09 125.94 1.27 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.559 0.695 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -22.22 32.58 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -77.43 -32.96 54.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 2.6 m120 -94.09 89.35 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 26.3 p30 -106.7 36.24 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.638 HG22 ' HG3' ' A' ' 84' ' ' LYS . 9.7 mt -128.51 -54.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -39.39 -63.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.739 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.6 p90 -39.4 -46.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' HD21 ' A' ' 33' ' ' LEU . 7.4 tttt -69.86 -68.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' A' ' 80' ' ' ILE . 31.4 mtmt -34.33 -38.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.26 -51.41 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.8 mp -61.37 -51.53 68.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -58.37 -40.3 81.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.45 -24.63 3.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.48 -40.71 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 t -122.28 126.93 74.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.2 p -81.42 152.39 70.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.28 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.79 -20.9 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -93.01 -34.68 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 HD12 ' A' ' 47' ' ' ILE . 18.1 tp -42.72 -27.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.518 ' CG2' HD12 ' A' ' 51' ' ' LEU . 16.7 mt -79.46 -50.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -56.21 -26.54 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.1 mmm -57.53 146.79 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 p -81.44 155.9 71.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 2.43 3.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.34 -37.2 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -73.97 -34.95 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.09 -30.88 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.19 -26.47 39.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.2 t -39.48 135.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -129.65 38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 107' ' ' GLU . 2.4 pm0 -122.89 164.55 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.28 -56.26 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.8 -20.35 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.49 -44.57 55.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -59.35 154.03 17.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -93.68 121.71 35.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.3 mmm-85 -58.99 166.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 60.66 43.6 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 m -156.2 115.57 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.67 83.63 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.82 49.02 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.8 p -96.77 -46.34 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 92.9 p -102.87 86.16 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.458 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -173.82 141.15 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -64.38 120.79 12.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.67 154.71 6.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -127.64 148.32 50.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -115.25 142.34 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.23 -58.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -76.1 91.71 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.812 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -54.05 -59.27 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.84 -53.44 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -56.72 -45.16 82.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 9' ' ' ALA . 84.2 mt -55.89 -64.68 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 21.4 mtm105 -48.01 -45.55 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.08 -53.85 52.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 t -49.43 -44.77 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.696 HG13 ' CE1' ' A' ' 66' ' ' TYR . 98.3 t -47.34 -44.55 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -55.23 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.5 -52.58 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m -49.79 -58.02 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -50.3 -55.68 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 35.5 ttpt -53.97 -40.22 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -49.04 -52.47 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 74' ' ' LYS . 59.3 mt -62.35 -57.41 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 86' ' ' LEU . 43.6 mt -55.02 -21.65 12.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mmt -76.41 -39.58 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.91 -22.78 29.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 79' ' ' ASN . 24.2 mmm180 -83.23 -22.99 32.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -92.16 -36.9 13.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.4 t -69.14 -31.45 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -78.45 -57.08 3.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -53.76 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -89.32 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -105.4 157.1 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 12.8 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.99 147.56 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.85 32.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 -22.88 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.32 -25.48 65.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -68.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.08 -58.94 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -50.74 -51.08 53.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -53.55 -44.64 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.65 -58.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.01 -47.0 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -58.96 -21.17 57.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -91.7 -15.94 27.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.93 -53.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -63.87 -57.4 9.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -29.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' GLU . 15.2 tp10 -96.34 -41.18 8.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.592 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.3 tp -64.3 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -48.46 -24.13 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -84.61 -50.8 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -56.73 -29.39 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.68 -33.1 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 24.3 mtt-85 56.05 31.91 18.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 13.4 m-20 -171.92 154.91 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.6 p -101.62 29.77 4.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.36 169.66 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.32 -38.6 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -60.16 -31.66 70.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -72.54 -57.4 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.98 -42.69 98.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.83 -48.03 41.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.29 -44.09 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.696 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.7 t80 -57.11 -55.98 27.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -63.37 -23.99 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -79.42 -39.22 32.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -49.0 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.746 ' HA ' HD12 ' A' ' 73' ' ' LEU . 15.6 ptm -70.16 -27.28 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -49.38 -45.21 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -72.9 -22.7 60.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 70' ' ' MET . 89.2 mt -73.66 -53.96 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 31.1 pttt -69.29 -3.84 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -70.28 121.87 84.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.45 37.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -83.59 -43.72 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 52.5 t-20 -87.26 87.29 7.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -101.63 42.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 mt -129.67 -57.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' HA ' ' CE ' ' A' ' 84' ' ' LYS . 9.7 tp -34.9 -69.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 3.2 p90 -42.23 -51.84 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 30.7 ttmt -55.37 -58.04 9.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 81' ' ' LEU . 42.6 mtmt -49.85 -35.16 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.9 t -70.3 -66.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 24' ' ' LEU . 11.1 mp -49.22 -45.82 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -59.11 -43.45 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.81 -28.02 3.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -39.36 -55.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.4 t -98.73 145.8 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.15 149.33 35.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.535 0.684 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.54 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.63 -24.39 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 96' ' ' ILE . 56.0 t60 -86.96 -36.82 18.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.6 tp -42.7 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 94' ' ' HIS . 17.5 mt -79.9 -56.3 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 14.5 mtp-105 -57.97 -24.95 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 38.3 mmm -53.52 152.8 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.0 m -78.79 150.0 74.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.7 Cg_endo -69.8 -22.93 31.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -84.14 -25.13 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' SER . 83.0 mt-10 -78.25 -45.19 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 81' ' ' LEU . 33.2 mt -39.53 -30.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.61 -36.83 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 102' ' ' GLU . 20.5 p -47.22 145.29 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -113.96 44.97 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.51 129.55 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.6 tp -100.31 -52.49 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.25 -22.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.91 -58.05 4.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -55.42 163.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -138.53 157.76 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -95.59 129.73 42.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -104.36 105.17 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.9 t -38.84 -45.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 87.32 -159.29 30.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 122.55 9.21 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.3 p -83.72 125.08 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.3 m -111.36 161.24 16.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.41 88.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -125.86 142.96 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.31 104.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 p -155.26 160.62 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 p -52.89 148.78 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.44 -89.85 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -90.05 98.19 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 110.811 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.72 -53.73 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.19 -46.12 17.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -55.41 -47.73 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.08 -61.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -49.65 -48.54 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.5 -54.48 21.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -52.64 -47.57 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' CD ' ' A' ' 48' ' ' GLU . 91.2 t -47.57 -50.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 mtm105 -57.46 -66.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -43.23 -54.38 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 m -47.9 -57.91 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.2 mt -49.16 -47.55 45.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.7 ttpt -62.35 -31.86 72.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.54 -54.83 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 14.8 mt -58.19 -60.62 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -54.05 -28.45 38.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.461 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 mmt -68.05 -32.36 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -92.59 -31.58 15.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.8 mmm180 -72.0 -33.5 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -80.66 -39.29 27.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 26' ' ' LYS . 1.4 t -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.5 -46.28 12.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.5 m -72.94 -179.37 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -95.17 48.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.717 ' HB3' HG13 ' A' ' 35' ' ' VAL . 13.1 mt -88.45 -47.7 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp 55.07 28.52 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.717 HG13 ' HB3' ' A' ' 33' ' ' LEU . 9.2 m -80.61 149.07 67.33 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.32 47.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.23 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -40.63 -44.05 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.87 -58.07 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HE2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.96 -67.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.65 -58.51 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -48.44 -67.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' ALA . 6.6 mtpm? -34.31 -55.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' CG2' ' HE2' ' A' ' 39' ' ' LYS . 96.0 t -53.6 -59.11 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.77 -56.92 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -50.86 -31.91 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ILE . 10.2 mmtp -76.46 -45.59 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.0 mm -37.49 -61.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.513 ' CD ' HG12 ' A' ' 16' ' ' VAL . 1.6 mp0 -63.32 -52.22 62.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' GLU . 39.7 tttm -36.22 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -94.97 -39.04 10.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.2 tp -60.59 -58.89 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ARG . 26.5 t80 -47.43 -43.74 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -67.89 -55.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.796 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -41.37 -38.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.83 -13.36 16.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 25.2 mtt180 45.94 32.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -174.82 167.68 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 45.0 p -119.71 60.52 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -100.7 178.91 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.92 -54.17 2.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' ASN . 19.6 mtmm -50.4 -65.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 51' ' ' LEU . 29.1 t80 -40.32 -49.2 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -67.08 -36.08 81.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' LYS . 21.5 t-20 -60.95 -37.05 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.3 tppm? -71.47 -45.52 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE1' ' SD ' ' A' ' 70' ' ' MET . 1.6 t80 -58.02 -60.52 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -25.3 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.9 t -78.69 -53.29 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 95' ' ' LEU . 14.0 mt -50.07 -42.1 49.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.761 ' HA ' HD12 ' A' ' 73' ' ' LEU . 13.5 ptm -82.61 -18.17 42.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -52.42 -45.32 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.04 -10.41 59.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 70' ' ' MET . 73.4 mt -84.78 -46.06 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -78.09 -3.51 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -78.81 121.88 84.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.99 8.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -17.53 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -118.05 88.14 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.65 57.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' ' 84' ' ' LYS . 11.0 mt -132.06 -58.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 103' ' ' LEU . 11.7 tp -42.65 -68.43 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.72 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -38.54 -33.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -80.67 -44.03 19.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 50.1 mtmt -61.74 -34.56 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.66 -48.46 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.1 mp -64.99 -50.85 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.07 -43.87 78.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 133.35 -22.99 3.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG22 ' CH2' ' A' ' 111' ' ' TRP . 30.6 t -117.13 124.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.95 150.79 75.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -16.4 37.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.11 -15.84 23.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -101.12 -31.56 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.587 ' HG ' HD22 ' A' ' 69' ' ' LEU . 11.4 tp -48.45 -28.93 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -71.65 -53.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -52.72 -24.57 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 40.5 mtp -59.27 154.39 16.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 1.8 m -91.16 160.4 37.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.92 -45.99 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 99' ' ' SER . 1.7 mp0 -57.36 -46.31 83.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 81' ' ' LEU . 86.6 mt -42.93 -27.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.93 -38.15 9.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -50.47 146.08 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 59.93 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.0 61.2 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.6 -56.6 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.13 -31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -44.3 -52.8 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 14.6 m95 -49.02 155.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -104.95 167.49 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.6 mmm-85 -121.87 44.52 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -57.35 105.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -67.96 136.37 53.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.06 -95.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.6 Cg_endo -69.8 -19.76 35.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' PRO . 15.6 p -34.55 118.83 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.7 t -43.06 -44.67 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.519 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -87.81 -54.89 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -151.46 155.15 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 89.22 2.0 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -79.01 83.53 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -90.45 108.55 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.41 -151.29 22.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -96.88 127.48 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.36 44.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -50.53 -25.11 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.76 -51.79 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.8 mt -52.22 -49.41 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -66.0 -54.16 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -48.69 -52.6 22.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.28 -47.74 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.755 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.0 t -45.78 -54.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' CZ ' HG23 ' A' ' 45' ' ' THR . 53.8 mtt180 -43.39 -62.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.23 -58.37 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -42.48 -64.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -44.2 -47.3 9.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.615 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 31.4 ttpt -65.56 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.36 -48.7 80.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.37 -63.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 ' CD1' ' A' ' 86' ' ' LEU . 18.7 mt -50.23 -23.69 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.565 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.9 mmt -70.05 -38.74 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.4 OUTLIER -86.01 -27.04 25.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -79.34 -25.09 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.78 -32.86 14.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.489 HG22 ' HA ' ' A' ' 26' ' ' LYS . 1.5 t -78.76 -16.39 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -93.05 -42.38 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.3 p -74.63 179.33 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -82.92 41.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.7 mt -102.01 126.96 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -108.74 33.97 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.9 m -77.36 147.45 75.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.28 50.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 2.3 tm-20 -42.21 -44.23 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -44.06 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.39 -69.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.45 -56.66 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.615 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . . . -48.72 -67.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 54.5 mttt -38.44 -54.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.6 -55.44 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.53 40.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 17' ' ' ARG . 10.4 m -46.78 -30.52 2.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 3.7 mptt -78.34 -50.6 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' LYS . 22.8 mm -36.68 -55.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' LYS . 1.4 mp0 -66.35 -54.94 18.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' GLU . 33.9 tttp -36.08 -43.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.1 -54.27 5.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.965 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.9 tp -44.01 -61.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -43.72 -46.73 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -64.82 -59.43 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -39.5 -69.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -66.38 -42.41 87.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 68.76 30.62 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -168.49 150.25 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.0 p -104.74 58.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -108.72 -178.86 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -38.77 -58.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.5 mtmp? -42.39 -64.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.965 ' CE1' HD23 ' A' ' 51' ' ' LEU . 66.1 t80 -34.46 -57.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ASN . 62.8 mttt -61.61 -53.3 58.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 5.2 t-20 -36.31 -44.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CG ' HD11 ' A' ' 51' ' ' LEU . 1.2 tppm? -69.86 -59.92 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.755 ' CE1' HG13 ' A' ' 16' ' ' VAL . 3.3 t80 -42.58 -55.36 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 68' ' ' SER . 11.1 ptm180 -56.2 -35.2 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.6 t -68.93 -48.15 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD22 ' HG ' ' A' ' 95' ' ' LEU . 77.2 mt -49.8 -53.9 22.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.643 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.8 ptm -71.28 -30.46 66.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -39.09 -51.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.7 -44.65 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.6 mt -49.95 -46.25 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ASP . 9.3 ptmm? -75.53 -38.35 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.6 t0 -35.0 116.42 0.54 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.624 0.726 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.88 24.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HG3' ' CG ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -95.55 -29.35 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -104.26 107.9 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -122.21 49.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.775 HD13 HD21 ' A' ' 108' ' ' LEU . 23.5 mt -127.02 -44.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 HD12 ' HE3' ' A' ' 84' ' ' LYS . 10.6 tp -49.67 -69.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.614 ' O ' HD13 ' A' ' 86' ' ' LEU . 4.1 p90 -39.12 -39.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -69.68 -52.02 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.688 ' HE2' HG22 ' A' ' 80' ' ' ILE . 55.9 mtmt -56.71 -38.4 72.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -69.7 -58.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.614 ' CD1' HD22 ' A' ' 24' ' ' LEU . 8.5 mp -54.72 -53.31 56.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -56.24 -46.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 135.72 -26.19 3.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' GLY . 9.5 mm-40 -37.07 -46.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG22 ' CH2' ' A' ' 111' ' ' TRP . 39.2 t -108.94 137.11 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.6 p -89.89 147.29 37.07 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.61 16.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.19 -31.29 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -84.72 -30.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 ' HG ' HD22 ' A' ' 69' ' ' LEU . 13.2 tp -45.55 -35.09 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.1 mt -73.03 -48.62 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.0 mtt-85 -55.4 -29.68 58.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 41.0 mmm -55.07 172.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -105.69 152.52 40.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.0 Cg_endo -69.74 -9.89 27.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 0.0 112.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -98.19 -27.01 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.07 -36.88 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 100' ' ' PRO . 16.0 mt -46.74 -38.78 10.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -82.49 -28.47 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' ALA . 8.3 t -36.8 138.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.73 26.16 4.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -92.87 127.35 38.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 80' ' ' ILE . 3.8 mm? -107.88 -55.42 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' ALA . . . -39.94 -36.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' ALA . . . -35.41 -50.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.612 ' CH2' HG22 ' A' ' 90' ' ' VAL . 44.5 m95 -44.79 144.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -84.26 171.51 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -108.27 151.54 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.33 97.72 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.2 p -71.26 109.5 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 160.93 -158.1 29.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.3 p -99.45 -175.36 2.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.4 m -154.71 168.8 25.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 p -68.99 82.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -168.04 143.72 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.79 96.11 1.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -91.7 78.89 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -93.39 115.16 27.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 -83.05 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ALA . 22.9 t -174.93 149.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 12' ' ' ILE . . . -37.19 -64.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -43.02 -49.56 6.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -57.99 -41.65 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 9' ' ' ALA . 65.7 mt -59.49 -56.61 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -51.6 -52.95 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -49.6 -51.28 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -51.69 -48.5 63.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.673 HG13 ' CD1' ' A' ' 66' ' ' TYR . 90.5 t -44.64 -49.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.167 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.68 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -40.83 -56.89 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -44.2 -57.35 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.8 mt -50.61 -61.41 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 25' ' ' MET . 35.5 ttpt -52.65 -33.33 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.76 -47.17 86.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -69.14 -50.65 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 86' ' ' LEU . 14.9 mt -64.52 -18.36 64.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 7.0 mmt -77.07 -44.73 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -83.32 -21.96 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -78.79 -26.1 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 29' ' ' THR . 1.8 pp -89.64 -42.24 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.706 ' N ' HD12 ' A' ' 28' ' ' LEU . 14.4 t -60.63 -35.42 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.33 -43.51 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -79.6 175.79 10.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -84.1 61.4 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.8 mt -113.4 108.6 17.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -85.79 21.03 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -73.0 149.97 90.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.96 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -66.15 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.85 71.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.89 -67.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -39.64 -56.8 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG11 HG12 ' A' ' 85' ' ' VAL . 78.7 t -50.02 -54.75 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -53.09 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -47.85 -32.26 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 49' ' ' LYS . 1.3 mptp? -77.38 -52.13 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LYS . 9.9 mm -36.78 -56.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -68.08 -32.26 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' LYS . 22.3 tttp -60.76 -38.51 85.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.94 -42.35 12.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 65' ' ' LYS . 8.5 tp -52.94 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -54.75 -45.28 74.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 m -64.56 -22.63 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -80.76 -55.32 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 71.5 m-85 -76.65 -18.9 58.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.7 mtt180 52.84 28.54 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.2 m-20 -175.02 171.4 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 63.5 p -110.74 27.94 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -62.81 -175.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.24 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -66.56 -29.61 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.435 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 24.9 t80 -72.02 -49.01 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -70.62 -45.75 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -45.97 -39.0 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HD2' HD21 ' A' ' 69' ' ' LEU . 1.1 tppm? -73.52 -42.68 61.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.673 ' CD1' HG13 ' A' ' 16' ' ' VAL . 2.3 t80 -59.71 -51.56 69.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 6.2 ppt_? -66.08 -10.48 40.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -92.66 -53.93 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HD2' ' A' ' 65' ' ' LYS . 14.5 mt -48.45 -36.73 15.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.772 ' HA ' HD12 ' A' ' 73' ' ' LEU . 17.9 ptm -88.99 -18.48 27.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.33 -32.13 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -89.78 -29.71 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 70' ' ' MET . 51.2 mt -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -87.77 -3.69 58.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -81.07 126.65 76.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.816 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.36 37.36 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.55 -40.47 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 12.2 t-20 -107.49 84.98 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -96.94 44.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.654 HG22 ' CG ' ' A' ' 84' ' ' LYS . 2.9 mt -127.27 -55.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' LYS . 8.7 tp -32.17 -69.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' O ' HD13 ' A' ' 86' ' ' LEU . 3.1 p90 -36.89 -40.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' ILE . 32.4 tttm -77.79 -38.65 46.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.654 ' CG ' HG22 ' A' ' 80' ' ' ILE . 14.6 mtpp -60.55 -36.92 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG12 HG11 ' A' ' 43' ' ' VAL . 40.1 t -76.08 -47.38 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.656 ' CD1' HD22 ' A' ' 24' ' ' LEU . 6.8 mp -61.89 -48.88 78.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -62.64 -40.99 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.3 -6.84 5.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CD1' ' A' ' 111' ' ' TRP . 5.2 mm-40 -54.75 -55.69 27.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.595 HG22 ' CH2' ' A' ' 111' ' ' TRP . 63.3 t -100.6 122.05 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.36 146.04 88.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.591 0.71 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.02 19.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -106.19 -18.99 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -92.91 -35.09 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -44.48 -24.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.68 -38.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -75.34 -15.66 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 37.8 mmm -68.53 149.03 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 p -84.37 158.71 60.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.672 0.749 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.1 Cg_endo -69.75 -7.33 20.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -101.16 -20.34 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -90.75 -28.21 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 100' ' ' PRO . 41.3 mt -57.11 -22.73 41.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.459 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . . . -87.97 -31.88 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -48.52 129.41 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.504 ' CB ' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -132.18 49.07 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -28.2 53.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 80' ' ' ILE . 6.8 mp 48.39 28.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -124.53 -10.94 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.46 -42.45 20.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.595 ' CH2' HG22 ' A' ' 90' ' ' VAL . 44.3 m95 -48.01 124.62 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -51.02 165.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -93.46 136.19 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLY . 3.8 mmp_? -117.57 135.07 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 117' ' ' PRO . 32.1 p -52.66 88.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 114' ' ' ARG . . . -106.61 84.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 115' ' ' SER . 54.0 Cg_endo -69.71 140.88 43.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.7 t -104.11 134.13 47.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.9 t -154.4 170.85 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.48 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p 43.94 41.93 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -119.48 111.8 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.88 122.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -102.33 -45.05 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -71.64 115.64 11.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.72 104.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -104.35 163.62 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.59 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.14 -35.78 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.2 -39.01 93.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.67 -69.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' NH1' ' CE2' ' A' ' 52' ' ' PHE . 8.7 ptt180 -47.38 -37.43 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.3 -42.28 99.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 t -65.99 -40.55 91.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -46.22 -44.62 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -47.38 -65.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -46.32 -58.08 4.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -40.04 -57.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.05 -54.31 31.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -50.87 -38.71 51.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -49.27 -50.2 40.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 73' ' ' LEU . 47.1 mt -66.71 -54.25 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 28' ' ' LEU . 55.5 mt -61.29 -12.79 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.21 -43.67 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -84.29 -22.78 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 13.9 mmm180 -80.27 -28.17 38.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -86.77 -37.06 18.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -72.44 -22.91 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -92.15 -43.68 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -67.04 -178.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -85.61 31.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 mt -94.04 147.29 23.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -125.94 13.19 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.29 147.78 86.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.595 0.712 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.34 66.21 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.97 -36.17 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -50.87 -54.64 22.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -41.68 -53.41 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.79 -56.71 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.38 -65.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ALA . 32.6 mttm -35.47 -59.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.958 HG11 ' CG1' ' A' ' 85' ' ' VAL . 90.4 t -52.84 -52.43 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.82 66.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 m -63.9 -30.61 71.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -73.98 -41.48 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.7 mm -40.83 -61.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -63.4 -45.68 89.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -44.31 -38.45 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.52 -43.22 10.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD23 ' CE1' ' A' ' 62' ' ' TYR . 7.6 tp -58.38 -61.95 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' NH1' ' A' ' 13' ' ' ARG . 71.5 t80 -52.09 -26.34 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -82.16 -28.4 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 6.0 t80 -80.87 -50.8 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.82 -17.0 56.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 49.39 31.5 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -173.94 158.0 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 p -116.15 39.98 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -89.18 -175.21 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.84 -63.81 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' TYR . 16.7 mttm -40.31 -63.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.68 ' CE1' HD23 ' A' ' 51' ' ' LEU . 71.4 t80 -36.72 -58.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASN . 50.4 mttt -59.22 -51.49 69.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' LYS . 50.1 t30 -35.74 -43.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' CG ' HD11 ' A' ' 51' ' ' LEU . 13.9 tppt? -71.22 -52.92 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.03 -59.22 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 3.9 ptm85 -50.26 -27.06 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -81.45 -28.39 34.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD22 HD23 ' A' ' 95' ' ' LEU . 84.1 mt -80.36 -39.29 28.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.667 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ppp? -86.39 -17.48 34.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 2.7 t80 -65.31 -43.43 91.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -75.11 -26.67 59.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 70' ' ' MET . 65.9 mt -58.84 -43.96 90.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' CE ' ' SD ' ' A' ' 70' ' ' MET . 12.3 ptpt -79.81 -27.53 40.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 m-20 -52.82 131.9 47.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 0.0 110.83 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.08 21.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.24 -23.64 66.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -112.68 90.95 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 41.58 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 84' ' ' LYS . 3.0 mm -125.21 -60.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 103' ' ' LEU . 10.0 tp -41.26 -62.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 27' ' ' ARG . 2.5 p90 -40.44 -32.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' LYS . 28.5 ttmt -86.25 -64.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HB3' HG23 ' A' ' 90' ' ' VAL . 28.5 mmtt -34.37 -38.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.958 ' CG1' HG11 ' A' ' 43' ' ' VAL . 76.8 t -67.37 -51.19 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 82' ' ' PHE . 9.1 mp -65.74 -51.18 61.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -56.58 -42.8 79.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.88 10.91 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.52 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 84' ' ' LYS . 68.4 mm-40 -80.11 -45.25 18.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.721 HG22 ' CH2' ' A' ' 111' ' ' TRP . 21.4 t -104.91 121.47 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.29 155.12 82.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -39.58 6.22 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.58 -29.91 69.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 97' ' ' ARG . 14.9 t60 -81.44 -40.47 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 HD22 ' A' ' 69' ' ' LEU . 2.1 tt -39.77 -26.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.513 HG21 HD12 ' A' ' 51' ' ' LEU . 10.0 mt -83.64 -41.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 94' ' ' HIS . 76.0 mtp180 -66.66 -26.54 67.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.1 mtp -55.36 158.2 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -87.3 156.61 54.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.751 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.76 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -109.66 -27.36 9.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' SER . 15.3 mm-40 -78.83 -36.61 42.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 100' ' ' PRO . 11.1 mt -44.44 -29.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.69 -28.24 20.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' GLU . 23.2 t -40.9 141.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -114.59 51.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -122.09 145.33 48.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -108.51 -21.84 12.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.42 -11.34 10.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.22 68.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.721 ' CH2' HG22 ' A' ' 90' ' ' VAL . 13.0 m95 -55.1 135.45 49.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -58.57 125.63 24.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -96.53 128.27 43.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -42.85 -49.85 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 m -109.38 105.22 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.81 91.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.97 13.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.5 t -66.87 117.37 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 m -141.91 178.07 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -159.77 108.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 94.02 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -67.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -49.92 143.39 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -98.41 -55.55 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 -139.4 3.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -94.76 83.5 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -73.27 -42.9 61.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -36.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -74.13 -36.89 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 4.8 mm -45.6 -50.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.53 -53.98 23.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -43.86 -47.55 8.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -51.79 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 66' ' ' TYR . 93.2 t -45.64 -49.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' HIS . 43.9 mtm180 -48.84 -70.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.507 ' C ' ' CD2' ' A' ' 18' ' ' HIS . 1.1 t-160 -37.21 -58.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.5 m -44.98 -64.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.4 mt -42.95 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 25' ' ' MET . 34.2 ttpt -50.48 -35.73 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.28 -46.64 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.2 mt -71.01 -55.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 mt -61.19 -9.45 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.7 mmt -82.12 -40.78 21.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -20.16 22.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -81.31 -32.78 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -79.26 -40.07 31.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.7 t -69.94 -22.26 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -81.04 -37.29 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -85.05 -177.51 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -94.36 30.13 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 35' ' ' VAL . 11.3 mt -70.84 -38.04 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttm 47.65 38.59 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 33' ' ' LEU . 6.4 m -89.34 148.75 41.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.162 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.15 47.04 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -41.19 -36.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -49.6 -58.44 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' NZ ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -38.47 -66.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.92 -57.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -57.93 -64.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.4 mtmt -33.8 -52.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.69 -59.11 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.08 -37.89 35.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.9 m -59.27 -36.83 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.36 -37.24 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -41.23 -57.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.726 ' CD ' HG11 ' A' ' 16' ' ' VAL . 4.7 mm-40 -72.48 -26.89 61.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -57.99 -40.85 81.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -89.62 -37.62 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 62' ' ' TYR . 5.7 tp -57.04 -48.79 77.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.34 -24.74 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.8 t -85.17 -21.97 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -82.4 -49.74 9.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -85.5 -30.05 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 63.99 30.54 14.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.44 163.97 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -112.42 50.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -95.85 -175.7 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.09 57.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -67.91 -21.61 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 51' ' ' LEU . 86.4 t80 -82.26 -50.56 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -71.45 -51.65 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -38.61 -41.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -72.78 -43.62 62.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.748 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.4 t80 -53.39 -52.64 58.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 2.6 ptm85 -64.77 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -65.69 -36.92 85.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 96' ' ' ILE . 43.5 mt -80.8 -39.31 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.45 ' HA ' HD12 ' A' ' 73' ' ' LEU . 2.4 ppp? -78.3 -13.58 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -73.31 -44.04 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -68.56 -20.44 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 70' ' ' MET . 62.2 mt -70.69 -46.93 62.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -73.79 -29.64 62.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -48.2 129.94 12.64 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.563 0.697 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.88 23.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -10.31 59.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -124.81 92.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.542 ' O ' ' CE2' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -111.07 2.57 18.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 ' HE2' ' A' ' 84' ' ' LYS . 57.9 mt -95.24 -33.98 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.866 HD21 HD22 ' A' ' 103' ' ' LEU . 8.2 tp -57.56 -59.58 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -49.04 -34.76 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 82' ' ' PHE . 31.1 mttt -73.57 -68.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.469 ' HE2' HG22 ' A' ' 80' ' ' ILE . 41.3 mtmt -34.26 -40.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.4 -53.17 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 82' ' ' PHE . 10.3 mp -61.01 -52.42 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -57.54 -35.86 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 125.69 -28.99 4.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' GLY . 19.8 mm-40 -34.94 -43.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -117.2 112.17 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.4 p -68.1 149.95 97.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.569 0.699 . . . . 0.0 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.98 35.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -100.68 -4.05 29.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -110.35 -32.05 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.35 -24.84 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 69' ' ' LEU . 18.8 mt -80.21 -42.6 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.16 -19.23 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 mtm -75.91 134.48 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 156.4 38.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -19.11 36.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -89.18 -16.2 31.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.78 -16.94 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.866 HD22 HD21 ' A' ' 81' ' ' LEU . 71.0 mt -65.12 -29.25 70.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -92.25 -43.95 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 104' ' ' ALA . 8.3 t -34.76 98.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -81.99 71.58 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.23 123.75 40.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 110' ' ' ALA . 3.4 tp -66.51 -60.07 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -39.38 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -43.2 -51.33 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.435 ' CZ2' ' HD2' ' A' ' 84' ' ' LYS . 15.8 m95 -77.84 142.88 38.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -76.1 -61.11 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -108.67 152.54 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -110.92 81.92 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 p -75.32 138.98 42.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 79.93 146.23 4.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 87.85 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 p -115.24 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.4 t 70.44 42.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -85.48 130.92 34.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -106.48 114.72 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.61 -107.36 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -103.58 45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -83.49 96.4 8.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.51 -96.79 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -62.6 149.04 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.45 -58.09 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.0 -54.83 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -55.7 -52.98 62.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.22 -57.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -56.63 -49.88 73.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -44.31 -54.39 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -53.33 -42.3 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.8 t -54.96 -55.56 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -52.54 -63.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -47.16 -61.09 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 t -43.63 -59.25 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD12 ' OE2' ' A' ' 48' ' ' GLU . 37.6 mt -46.53 -54.68 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -58.75 -36.41 74.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -55.17 -45.92 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 HD11 ' HE2' ' A' ' 70' ' ' MET . 55.8 mt -67.22 -62.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD22 HD11 ' A' ' 86' ' ' LEU . 31.8 mt -48.86 -22.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 mmt -75.24 -45.18 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -12.4 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 15.6 mmm180 -94.22 -39.64 10.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.808 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.687 HD22 ' CG2' ' A' ' 35' ' ' VAL . 1.2 pp -77.62 -40.77 40.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.6 t -68.63 -18.84 64.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.46 -30.19 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m -90.15 -177.56 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -81.4 46.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD13 HD22 ' A' ' 86' ' ' LEU . 6.2 mt -105.85 -65.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 57.29 31.54 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 28' ' ' LEU . 21.7 m -75.59 151.42 84.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -38.07 -37.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -50.29 -48.02 55.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -58.17 -60.82 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.51 -58.11 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -51.92 -66.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.2 mtpm? -34.08 -56.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.912 HG11 ' CG1' ' A' ' 85' ' ' VAL . 89.9 t -55.09 -56.4 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.1 -48.09 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.3 m -55.38 -33.75 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -43.69 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -37.95 -58.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.678 ' OE2' HD12 ' A' ' 20' ' ' LEU . 15.9 mp0 -65.25 -38.58 90.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -49.31 -36.08 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' OE1' HD12 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -86.89 -49.56 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.833 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.718 HD23 ' CE1' ' A' ' 62' ' ' TYR . 6.4 tp -51.62 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -42.4 -37.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -81.15 -27.46 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 51' ' ' LEU . 49.1 t80 -69.75 -45.71 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -93.98 -27.13 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 61.51 35.18 17.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -174.89 152.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 p -111.15 56.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' TYR . 0.8 OUTLIER -111.6 -179.5 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ASP . . . -35.29 -54.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -48.35 -43.27 33.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.718 ' CE1' HD23 ' A' ' 51' ' ' LEU . 46.4 t80 -56.96 -67.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . 23.8 mttt -51.95 -53.9 35.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . 21.9 t30 -34.44 -45.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -75.81 -53.81 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.424 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.5 t80 -43.11 -49.73 6.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ASN . 12.1 ptt180 -58.41 -40.51 82.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 1.2 t -64.46 -35.5 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 HD13 ' A' ' 51' ' ' LEU . 45.1 mt -58.4 -48.59 80.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' LEU . 10.6 ptm -83.51 -26.67 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -43.67 -36.5 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 78' ' ' ASN . 10.3 m-80 -91.77 -27.53 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' MET . 91.0 mt -66.34 -43.31 86.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -28.69 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.45 141.29 93.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.595 0.712 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.8 Cg_endo -69.8 -50.44 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -28.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 6.3 m-20 -116.94 86.41 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HA ' ' NH2' ' A' ' 27' ' ' ARG . 18.3 p30 -105.56 36.49 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG22 ' HG2' ' A' ' 84' ' ' LYS . 10.1 mm -130.82 -56.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.555 HD21 HD22 ' A' ' 103' ' ' LEU . 12.6 tp -33.5 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.76 ' O ' HD13 ' A' ' 86' ' ' LEU . 10.3 p90 -44.48 -41.1 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HG3' HD11 ' A' ' 33' ' ' LEU . 22.1 ttmt -68.48 -57.7 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HG2' HG22 ' A' ' 80' ' ' ILE . 4.5 mmpt? -35.86 -53.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.912 ' CG1' HG11 ' A' ' 43' ' ' VAL . 37.5 t -56.78 -44.15 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.783 HD22 HD13 ' A' ' 33' ' ' LEU . 10.5 mp -65.37 -56.12 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -55.72 -52.3 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.81 27.8 0.84 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -99.71 -48.24 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.575 ' CG2' ' CH2' ' A' ' 111' ' ' TRP . 4.5 t -100.66 116.73 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.2 p -66.81 146.87 99.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.709 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.31 37.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.46 -39.53 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ARG . 21.6 t60 -71.91 -39.12 69.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.451 HD12 HG21 ' A' ' 85' ' ' VAL . 2.5 tt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.457 HD12 ' OE1' ' A' ' 50' ' ' GLU . 20.2 mt -74.83 -46.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' HIS . 62.9 mtp180 -79.48 -8.11 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 mtp -57.41 133.67 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -64.53 161.32 44.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -9.34 25.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -102.09 -23.63 14.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.72 -42.1 29.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 81' ' ' LEU . 80.8 mt -44.3 -26.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.97 -28.24 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 m -40.06 108.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 107' ' ' GLU . 26.2 ttpt -99.42 -54.57 2.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' LYS . 18.2 mm-40 -35.04 140.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.77 -56.66 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.46 -36.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.68 -50.76 31.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.575 ' CH2' ' CG2' ' A' ' 90' ' ' VAL . 14.0 m95 -50.34 -64.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -143.87 157.85 44.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 114' ' ' ARG . 8.3 tpt180 72.64 33.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 113' ' ' ARG . 54.5 mtp180 -37.32 153.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.6 t -49.05 151.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.4 -94.96 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 90.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.323 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.6 m -157.72 156.78 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.8 m -79.74 127.58 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -63.54 91.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -153.0 161.83 42.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.29 85.77 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.542 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -73.35 87.72 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 m 63.7 35.61 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.82 -5.87 10.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -118.69 51.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . . . -133.19 -41.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.3 t0 -34.94 -42.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.91 -52.69 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.1 mt -46.2 -50.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 mtp-105 -60.35 -41.69 94.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -54.24 -53.65 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.8 m -54.56 -43.93 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.598 HG13 ' CE1' ' A' ' 66' ' ' TYR . 74.2 t -47.49 -43.39 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtt85 -57.9 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -46.57 -50.9 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -50.54 -54.58 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.06 -51.32 69.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 25' ' ' MET . 32.8 ttpt -60.76 -30.38 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -62.39 -42.32 99.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.34 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 86' ' ' LEU . 18.8 mt -51.42 -17.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 4.8 mmt -78.45 -53.89 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -73.64 -17.17 61.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -85.96 -32.86 21.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -83.08 -41.83 18.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.9 t -58.7 -36.78 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -85.17 -7.23 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' LEU . 24.2 m -103.11 31.8 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 39.34 26.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.5 mt -74.72 113.47 12.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -86.66 38.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.75 149.35 40.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.644 0.735 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.72 51.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -47.81 -35.15 9.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -56.34 -42.41 77.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.87 -55.8 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' LYS . . . -46.88 -67.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' ALA . 47.2 mttt -37.36 -55.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.71 -52.75 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.56 69.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.3 m -50.45 -25.59 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 23.2 mttt -85.41 -45.38 11.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' LYS . 32.9 mm -37.45 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.0 -55.55 21.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' GLU . 62.5 tttm -36.79 -35.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.82 -37.44 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD23 ' CE1' ' A' ' 62' ' ' TYR . 3.0 tp -64.45 -59.31 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ARG . 33.9 t80 -50.82 -43.92 59.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.9 m -66.14 -51.63 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -45.63 -65.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -71.98 -43.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 16.6 ttt180 72.12 30.55 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -171.12 148.73 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.4 p -99.81 57.55 1.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -103.14 -178.73 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.64 -46.32 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -52.83 -59.57 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.831 ' CE1' HD23 ' A' ' 51' ' ' LEU . 79.4 t80 -49.61 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -44.82 -47.8 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.15 -50.04 59.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HG3' HD11 ' A' ' 51' ' ' LEU . 17.1 tppt? -60.03 -36.43 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' CE1' HG13 ' A' ' 16' ' ' VAL . 1.9 t80 -65.69 -61.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -12.1 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.0 t -88.12 -38.44 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 16.5 mt -64.36 -50.64 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.644 ' HA ' HD12 ' A' ' 73' ' ' LEU . 12.0 ptm -71.43 -33.86 69.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -42.43 -40.92 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -82.98 -32.28 27.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 70' ' ' MET . 34.5 mt -57.69 -49.68 75.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -68.03 -29.25 68.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.0 t0 -36.87 119.7 0.78 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.84 28.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.286 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -8.09 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -115.37 90.52 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.25 47.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.529 HG22 ' HG3' ' A' ' 84' ' ' LYS . 24.4 mt -132.2 -58.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.594 HD12 ' NZ ' ' A' ' 84' ' ' LYS . 6.5 tp -34.6 -68.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' O ' HD13 ' A' ' 86' ' ' LEU . 9.6 p90 -41.77 -44.3 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 23.3 ttmt -65.24 -46.69 79.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.594 ' NZ ' HD12 ' A' ' 81' ' ' LEU . 9.1 mtmp? -59.74 -41.09 90.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.0 -56.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 24' ' ' LEU . 7.6 mp -56.56 -51.41 68.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -57.47 -50.43 73.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.46 -18.49 2.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.08 -34.2 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.37 149.69 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.18 153.07 38.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -13.26 34.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -91.59 -45.38 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -70.81 -33.07 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.0 tp -43.21 -31.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.9 mt -72.49 -49.74 39.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -56.52 -29.54 61.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 47.0 mmm -52.4 152.18 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -81.69 152.56 69.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -104.35 -17.23 14.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -89.08 -45.27 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.6 mt -41.57 -34.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -87.81 -37.64 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' ALA . 13.9 t -36.45 134.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -100.11 60.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -129.42 140.76 51.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -123.33 -27.63 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.66 -28.98 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 111' ' ' TRP . . . -45.95 -57.13 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 110' ' ' ALA . 15.3 m95 -35.8 141.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -74.53 -46.47 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -103.35 168.89 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -162.73 166.47 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 p -50.48 150.42 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -51.66 166.88 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.59 13.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.354 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.0 p -62.86 137.75 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.0 p -134.92 108.5 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -99.14 130.71 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -104.57 -45.3 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.86 -124.97 6.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -134.05 120.81 20.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -112.14 127.55 55.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.48 -110.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -43.13 148.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.73 94.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 -43.33 66.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.44 -51.1 67.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -50.6 -59.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -53.52 -50.18 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -50.91 -52.31 43.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -50.95 -46.11 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.732 HG13 ' CD1' ' A' ' 66' ' ' TYR . 95.1 t -45.94 -49.07 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 24.3 mtm180 -52.61 -68.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' SER . 56.0 t-80 -53.21 -61.1 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.449 ' CB ' ' OH ' ' A' ' 66' ' ' TYR . 2.2 m -36.48 -52.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -54.93 -59.43 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 41' ' ' ALA . 9.8 ttmt -47.57 -50.28 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' LYS . 4.5 t0 -34.39 -53.04 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' CD1' ' HE2' ' A' ' 70' ' ' MET . 45.5 mt -63.74 -61.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 86' ' ' LEU . 56.2 mt -54.09 -17.13 2.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 37' ' ' GLU . 4.9 mmt -79.7 -43.95 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -84.03 -19.37 34.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -84.25 -39.14 19.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -75.12 -32.23 61.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 28' ' ' LEU . 1.5 t -77.76 -18.1 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 -41.15 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -71.61 179.79 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.98 38.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' HG3' ' A' ' 83' ' ' LYS . 24.2 mt -106.71 125.33 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 50.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 28' ' ' LEU . 4.5 m -92.06 147.52 34.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 168.84 20.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 28.5 tt0 -68.78 -25.33 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -66.36 -35.04 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -47.39 -69.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ALA . . . -54.2 -61.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . . . -35.56 -49.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 32.4 mttm -59.47 -52.2 66.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 39' ' ' LYS . 40.9 t -52.66 -58.58 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' ARG . . . -49.98 -48.69 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -56.97 -34.99 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 50' ' ' GLU . 3.1 mptp? -70.14 -50.51 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.574 ' N ' HD13 ' A' ' 47' ' ' ILE . 3.1 mm -45.23 -51.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.09 -22.64 64.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -73.85 -49.22 26.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 46' ' ' LYS . 2.0 pm0 -78.16 -50.73 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.723 HD23 ' CE1' ' A' ' 62' ' ' TYR . 2.0 tp -44.68 -59.93 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -50.59 -42.58 56.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.9 t -70.57 -29.25 65.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.29 -67.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 62' ' ' TYR . 76.7 m-85 -78.1 -31.35 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 63.44 32.45 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -174.19 132.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 74.1 p -75.72 56.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -98.38 176.11 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.93 -29.44 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -31.35 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.723 ' CE1' HD23 ' A' ' 51' ' ' LEU . 9.0 t80 -79.83 -45.2 19.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -69.09 -40.64 78.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.98 -35.2 61.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HG3' HD11 ' A' ' 51' ' ' LEU . 13.5 tppt? -76.94 -44.32 31.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.732 ' CD1' HG13 ' A' ' 16' ' ' VAL . 1.2 t80 -56.48 -55.06 38.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -62.04 -30.7 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' PHE . 3.6 m -70.3 -61.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -39.45 -40.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.63 ' HA ' HD12 ' A' ' 73' ' ' LEU . 3.1 ptm -88.42 -24.41 23.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' SER . 68.2 t80 -47.15 -45.87 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 10.3 m-80 -81.54 -40.91 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 70' ' ' MET . 82.5 mt -51.14 -54.43 25.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -60.33 -11.88 7.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 72' ' ' ASN . 3.3 t70 -72.57 140.02 81.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 75' ' ' ASP . 53.4 Cg_endo -69.7 -5.47 16.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -95.54 -40.76 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.41 78.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.592 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 17.3 m120 -96.75 -33.94 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.44 HG22 ' HG3' ' A' ' 84' ' ' LYS . 39.5 mt -78.91 -31.4 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD21 HD22 ' A' ' 103' ' ' LEU . 10.3 tp -53.02 -65.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 79' ' ' ASN . 2.8 p90 -56.23 -50.03 72.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.684 ' HG3' HD11 ' A' ' 33' ' ' LEU . 13.4 ttmt -55.03 -35.44 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 80' ' ' ILE . 28.6 mtmt -70.01 -44.37 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 81' ' ' LEU . 21.4 t -67.19 -38.09 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 24' ' ' LEU . 9.6 mp -74.77 -53.58 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HE3' HD21 ' A' ' 33' ' ' LEU . 16.5 mmtp -56.0 -37.15 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 89' ' ' GLU . . . 132.71 -28.25 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' GLY . 13.6 mm-40 -34.6 -56.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.03 136.72 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.52 156.0 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HB2' HD13 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.72 -10.59 28.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -94.43 -37.02 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -84.12 -24.45 30.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -52.24 -21.68 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.9 mt -84.12 -51.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -57.32 -21.4 34.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 35.4 mtp -49.28 154.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -99.27 156.6 35.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -26.34 27.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.67 -18.32 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' SER . 64.2 mm-40 -90.75 -41.87 11.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 HD21 ' A' ' 81' ' ' LEU . 52.8 mt -43.35 -28.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.82 -36.9 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 102' ' ' GLU . 15.8 p -39.41 150.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 107' ' ' GLU . 6.8 ttpm? -116.88 -38.15 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 106' ' ' LYS . 1.3 mp0 -35.23 134.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' ALA . 12.8 mt -98.55 -52.03 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.11 -27.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -43.37 -49.4 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.427 ' HE1' ' CD ' ' A' ' 84' ' ' LYS . 25.7 m95 -49.74 153.49 1.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -61.79 -41.2 97.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ttt85 -59.08 109.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.19 120.79 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -65.37 110.94 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.32 171.96 35.47 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -38.01 8.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -50.7 -51.0 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.2 m -109.42 125.91 52.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -83.13 148.91 27.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -135.49 139.74 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.21 91.81 2.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -144.45 168.32 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 77.8 p -100.63 93.21 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.91 73.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -102.45 38.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 12' ' ' ILE . . . -88.95 -40.23 13.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.3 -38.02 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -74.55 -30.79 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.5 mm -49.72 -60.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -41.78 96.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -49.71 -53.59 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -56.87 -46.32 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 12' ' ' ILE . 46.8 t -50.72 -42.64 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -57.38 -67.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -45.78 -33.76 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.9 m -67.9 -64.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 52.4 mt -48.17 -47.2 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 20.1 ttpt -56.0 -56.26 22.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' LYS . 6.5 t70 -34.74 -60.64 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.5 mt -49.7 -63.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -48.95 -33.56 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' CE ' ' HG3' ' A' ' 37' ' ' GLU . 12.0 mtp -71.3 -67.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -24.57 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.02 -57.25 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 28' ' ' LEU . 1.7 pp -56.13 -39.32 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 28' ' ' LEU . 4.9 t -63.15 -28.75 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.58 -54.9 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 p -56.66 -177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -98.64 59.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.74 ' HB3' HG13 ' A' ' 35' ' ' VAL . 17.3 mt -106.63 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.4 32.36 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.74 HG13 ' HB3' ' A' ' 33' ' ' LEU . 10.4 m -81.71 148.31 61.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 144.58 54.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.697 2.265 . . . . 0.0 112.411 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HG3' ' CE ' ' A' ' 25' ' ' MET . 10.1 tt0 -43.17 -46.62 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -43.4 -39.32 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -69.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.38 -53.27 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.59 -49.17 62.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.2 mttt -53.42 -54.54 35.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.66 -57.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.99 -43.92 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -61.61 -31.38 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 1.9 mptm? -76.63 -44.42 34.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -37.24 -74.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' GLU . 1.4 mp0 -46.8 -56.71 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 48' ' ' GLU . 21.7 tttt -34.7 -34.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' GLU . 10.5 tp10 -92.5 -51.25 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 62' ' ' TYR . 9.0 tp -50.22 -59.66 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.29 -25.54 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -85.71 -15.31 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -94.76 -38.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -90.1 -38.11 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.8 mtt85 60.91 32.15 20.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -171.07 118.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 p -80.43 55.35 2.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -106.12 -178.46 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' LYS . . . -37.1 -65.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.5 mtpt -36.38 -63.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 51' ' ' LEU . 44.7 t80 -39.09 -51.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -65.15 -45.04 86.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.36 -47.77 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.669 ' HD2' HD21 ' A' ' 69' ' ' LEU . 15.6 tppt? -71.2 -54.96 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CE1' HG13 ' A' ' 16' ' ' VAL . 2.0 t80 -44.52 -54.9 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 68' ' ' SER . 7.4 ptm180 -58.38 -32.31 68.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 39.3 m -76.62 -24.08 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.9 mt -75.31 -42.74 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.883 ' HA ' HD12 ' A' ' 73' ' ' LEU . 11.6 ptm -87.94 -24.71 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 67' ' ' ARG . 26.2 t80 -54.54 -34.41 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -89.44 -28.83 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 70' ' ' MET . 40.2 mt -62.03 -36.43 81.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ASP . 10.8 ptmm? -83.73 -30.09 26.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.8 t0 -36.98 120.28 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.599 0.714 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.94 29.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -97.15 -18.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 78' ' ' ASN . 7.0 t30 -89.32 -75.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 40.58 41.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.631 HG22 ' CD ' ' A' ' 84' ' ' LYS . 2.4 mm -129.32 -49.5 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 103' ' ' LEU . 8.4 tp -56.72 -52.31 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.512 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.3 p90 -48.32 -41.29 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 82' ' ' PHE . 15.5 ttmt -76.83 -37.35 55.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.631 ' CD ' HG22 ' A' ' 80' ' ' ILE . 14.1 mtpt -57.47 -53.96 52.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.513 HG21 HD12 ' A' ' 95' ' ' LEU . 25.4 t -59.81 -49.02 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 82' ' ' PHE . 3.9 mp -57.56 -58.17 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -55.93 -31.4 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.97 -23.11 6.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.67 -66.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 0.0 110.949 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 91' ' ' THR . 15.9 t -92.59 155.87 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 17.9 p -103.09 150.02 37.46 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -9.37 25.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.51 -44.35 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 95' ' ' LEU . 33.6 t60 -70.2 -36.55 74.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.513 HD12 HG21 ' A' ' 85' ' ' VAL . 4.4 tt -37.21 -40.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -69.77 -49.09 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -57.3 -21.89 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 31.8 mtp -64.47 163.66 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -99.16 159.61 29.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.631 ' HA ' HD12 ' A' ' 103' ' ' LEU . 54.5 Cg_endo -69.73 0.86 5.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -107.83 -33.3 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -79.04 -41.72 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 100' ' ' PRO . 13.5 mt -40.84 -41.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 105' ' ' SER . . . -84.89 -40.07 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 104' ' ' ALA . 36.7 m -34.47 143.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -110.86 57.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -96.91 102.32 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.94 -50.56 10.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -40.55 -35.67 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -46.36 -66.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 84' ' ' LYS . 9.5 m95 -57.38 147.58 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttm105 -87.68 49.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -146.51 144.16 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -126.96 157.68 38.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t -77.06 -60.05 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.78 174.77 18.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 98.05 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.6 m -162.83 173.78 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -151.96 114.46 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 180.0 . . . . . . . . 0 0 . 1 stop_ save_