data_5giw_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 5giw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.48 -79.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -46.56 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -87.34 -8.35 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.39 -38.23 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.7 -23.49 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.87 -17.85 52.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.28 -32.44 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.52 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.571 ' HG1' ' H ' ' X' ' 15' ' ' GLU . 33.4 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.571 ' H ' ' HG1' ' X' ' 13' ' ' THR . 2.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.78 -88.82 0.23 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -38.97 64.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.548 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.23 -5.97 57.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -43.46 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.06 -14.81 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.27 -16.08 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -39.3 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.72 -50.02 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.835 0.35 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' X' ' 16' ' ' ILE . 72.6 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.801 0.334 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.07 -80.19 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -45.46 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -86.17 -13.18 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.5 OUTLIER -75.58 -41.01 55.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.577 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -76.85 -19.52 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.3 -14.4 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -27.11 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.82 -18.28 62.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.311 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.9 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.604 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.06 -79.74 0.22 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -49.34 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.4 t -84.76 -1.52 56.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 5.6 t -87.99 -41.24 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.42 -21.57 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.9 -19.49 44.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.6 -26.53 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.59 -17.86 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.726 0.298 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.606 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.01 -79.88 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -48.44 26.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -83.86 -7.24 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -45.84 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.57 -21.83 63.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -14.22 55.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.19 -27.83 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -16.61 64.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.692 0.282 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.863 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.58 -78.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -48.62 18.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.566 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -85.54 -41.24 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.566 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -74.66 -20.96 59.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.33 -20.57 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.413 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.9 OUTLIER -75.2 -32.67 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.73 12.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.52 ' H ' ' C ' ' X' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.279 179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.51 -79.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -43.55 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.638 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.1 m -89.58 -6.15 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -84.43 -36.85 22.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.622 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.499 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 2.0 pp -79.03 -21.27 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.614 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.31 -24.63 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 0.0 110.223 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -85.11 -19.44 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.26 -67.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.567 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.43 -79.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.15 -46.93 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -85.82 -8.24 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.73 -43.14 23.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.89 -25.47 62.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.08 -45.41 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.2 -18.19 65.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -71.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.648 0.261 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.482 179.796 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.862 0.363 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.78 -61.6 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' X' ' 8' ' ' CYS . 11.7 m-85 -67.66 -66.08 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 33.3 t -51.41 -10.56 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' X' ' 6' ' ' PHE . 0.6 OUTLIER -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.11 -8.55 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.077 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.16 -16.92 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.436 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -86.4 -21.52 27.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.3 -35.41 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.65 0.262 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.897 0.38 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -132.91 -71.68 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -36.09 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 110.76 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m -95.55 -5.5 42.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.773 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' X' ' 5' ' ' GLY . 4.6 t -90.69 -35.26 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.47 -15.14 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.8 -15.78 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -39.41 78.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.39 -51.54 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.732 0.301 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.62 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.803 0.335 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -159.84 -82.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -47.31 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.555 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -87.13 -6.96 58.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' X' ' 5' ' ' GLY . 2.2 t -82.49 -38.18 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.15 -21.72 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.97 -22.11 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.25 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 -36.89 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.362 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.26 -51.18 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' X' ' 15' ' ' GLU . 17.8 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.331 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.67 0.271 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.407 ' O ' ' CG2' ' X' ' 16' ' ' ILE . 88.5 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.78 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -47.93 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.336 . . . . 0.0 110.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -85.84 -6.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.22 -44.2 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' X' ' 13' ' ' THR . 96.5 mt -77.74 -17.45 57.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.434 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' X' ' 13' ' ' THR . 3.9 tp -74.69 -64.61 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' X' ' 12' ' ' LEU . 3.7 mm? -49.65 -12.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.494 ' H ' ' C ' ' X' ' 11' ' ' LEU . 75.0 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.771 0.319 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.52 -79.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -66.79 -2.86 5.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.35 -50.89 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.74 -20.46 62.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.56 -33.32 70.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -80.0 -22.63 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.41 8.13 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.539 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 CA--C 1.522 -0.102 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.645 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.15 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.48 -79.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.3 -55.57 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.701 0.286 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 11.91 4.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.511 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.36 -35.74 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -81.12 -18.61 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.708 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.11 -15.17 58.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.324 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.34 -4.99 55.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.301 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' X' ' 12' ' ' LEU . 0.1 OUTLIER -103.26 -37.61 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.735 -179.702 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.689 0.28 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' X' ' 16' ' ' ILE . 89.4 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.493 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.04 -86.84 0.06 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.84 -48.66 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -82.21 -15.43 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 t -74.33 -48.62 27.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.38 -16.91 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' X' ' 13' ' ' THR . 91.8 mt -89.97 -34.1 16.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.004 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' X' ' 13' ' ' THR . 3.7 tt -78.55 -49.78 12.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.503 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.81 -21.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' X' ' 10' ' ' LEU . 39.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.715 0.293 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.549 179.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.96 -79.68 0.05 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -39.58 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.37 -29.81 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -47.69 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.06 -29.41 69.75 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.684 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.9 -44.1 50.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.316 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.61 -39.58 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.53 -28.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.461 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 mm . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.813 -179.817 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.833 0.349 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.81 -74.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -47.22 33.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -85.05 -6.34 59.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -43.15 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.58 -23.44 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.58 -34.13 35.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.315 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.5 OUTLIER -66.9 -36.65 82.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.541 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.22 18.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.498 ' H ' ' C ' ' X' ' 11' ' ' LEU . 43.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.635 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 CA--C 1.521 -0.147 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.2 tt . . . . . 0 N--CA 1.445 -0.686 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.205 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.806 0.336 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 -86.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.52 -59.15 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.516 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -78.23 11.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -102.79 -42.2 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.08 -21.19 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -75.64 -43.15 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.395 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.8 OUTLIER -70.54 -32.96 70.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.68 9.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 13' ' ' THR . . . . . 0.468 ' H ' ' C ' ' X' ' 11' ' ' LEU . 65.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.149 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.58 -79.17 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -89.25 -8.69 52.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -38.82 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.53 -21.58 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -82.75 -22.94 34.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.44 -19.85 38.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.22 -24.3 57.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.668 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.442 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.26 -67.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' X' ' 8' ' ' CYS . 0.2 OUTLIER -49.58 -59.87 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.547 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -77.06 12.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 8' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.1 OUTLIER -103.49 -42.22 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.574 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.7 pp -75.56 -15.95 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.16 -18.76 38.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -39.34 60.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.49 -55.86 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.615 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' X' ' 4' ' ' ARG . . . -73.43 162.94 71.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.48 36.02 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' X' ' 2' ' ' ALA . 52.8 mtp85 41.68 52.9 3.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.48 -79.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -46.56 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -87.34 -8.35 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.39 -38.23 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.7 -23.49 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.87 -17.85 52.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.28 -32.44 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.52 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.571 ' HG1' ' H ' ' X' ' 15' ' ' GLU . 33.4 p -61.79 -20.4 63.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.571 ' H ' ' HG1' ' X' ' 13' ' ' THR . 2.0 mm-40 -55.25 -58.75 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.669 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -98.52 70.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.79 30.53 4.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.541 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -95.3 -42.28 0.28 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.1 Cg_endo -84.8 20.47 1.23 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.352 2.034 . . . . 0.0 112.237 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' X' ' 20' ' ' VAL . 11.5 p -146.84 42.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.513 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -151.82 -64.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -139.28 170.2 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -56.12 -43.8 78.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 162.51 63.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.472 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -69.4 -166.55 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.626 2.217 . . . . 0.0 112.031 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -121.44 36.1 4.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.78 -88.82 0.23 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -38.97 64.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.548 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.23 -5.97 57.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -43.46 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.06 -14.81 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.27 -16.08 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -39.3 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.72 -50.02 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -54.21 -55.94 23.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.24 -60.53 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' X' ' 16' ' ' ILE . 72.6 mt -78.0 52.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.68 -3.41 10.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.536 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -100.17 -42.02 0.22 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.442 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 61.6 Cg_endo -83.48 2.46 8.34 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.1 1.866 . . . . 0.0 112.35 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.83 30.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' X' ' 19' ' ' PRO . 26.0 tttt -148.26 -41.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -91.97 70.16 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -93.88 -14.29 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.834 0.349 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' X' ' 4' ' ' ARG . . . -159.3 162.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.48 36.19 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.596 2.197 . . . . 0.0 111.89 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' X' ' 2' ' ' ALA . 20.1 ttp-105 52.6 68.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.503 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.07 -80.19 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -45.46 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -86.17 -13.18 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.5 OUTLIER -75.58 -41.01 55.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.577 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -76.85 -19.52 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.3 -14.4 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' X' ' 14' ' ' DSN . 0.8 OUTLIER -77.62 -27.11 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.82 -18.28 62.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 2.8 p -95.15 -24.11 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.425 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.21 -67.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.9 mm -77.51 57.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.604 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' X' ' 17' ' ' ASP . 0.2 OUTLIER -129.13 -13.04 4.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -101.17 -41.96 0.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.375 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 67.9 Cg_endo -84.26 14.3 2.47 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.241 1.961 . . . . 0.0 112.44 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.98 29.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.443 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -149.32 143.83 26.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -101.37 -178.26 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -10.44 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.74 73.74 0.85 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.72 35.98 0.58 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.177 2.584 . . . . 0.0 112.027 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 54.11 87.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.06 -79.74 0.22 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -49.34 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.4 t -84.76 -1.52 56.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 5.6 t -87.99 -41.24 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.42 -21.57 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.9 -19.49 44.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.6 -26.53 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.59 -17.86 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -96.78 -24.34 15.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.96 -67.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 88.2 mt -77.54 56.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.68 -14.97 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.553 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -96.64 -42.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.4 Cg_endo -85.1 15.23 2.26 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.272 1.981 . . . . 0.0 112.144 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' X' ' 20' ' ' VAL . 55.5 t -101.47 39.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -168.53 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -63.53 -48.76 76.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -138.4 -75.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.424 ' O ' ' O ' ' X' ' 2' ' ' ALA . 25.1 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.775 0.321 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' X' ' 1' ' ' MET . . . 56.11 162.53 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -69.45 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.577 2.185 . . . . 0.0 112.091 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -123.08 34.73 5.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.01 -79.88 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -48.44 26.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -83.86 -7.24 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -45.84 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.57 -21.83 63.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -14.22 55.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' X' ' 14' ' ' DSN . 4.2 tp -79.19 -27.83 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -16.61 64.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -28.01 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.507 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.429 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.37 -64.86 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mm -89.82 58.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' X' ' 17' ' ' ASP . 0.0 OUTLIER -110.91 -12.48 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -103.42 -40.76 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 10.2 Cg_endo -78.76 15.49 1.46 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.264 1.976 . . . . 0.0 112.682 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.64 27.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 110.221 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -134.14 -33.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -97.77 -158.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 48.67 -143.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' X' ' 4' ' ' ARG . . . -142.56 163.14 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.456 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.7 36.04 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.52 2.147 . . . . 0.0 111.908 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' X' ' 2' ' ' ALA . 12.7 mtp85 41.34 42.76 1.9 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.58 -78.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -48.62 18.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.566 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -85.54 -41.24 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.566 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -74.66 -20.96 59.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.33 -20.57 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.413 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.9 OUTLIER -75.2 -32.67 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.73 12.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.52 ' H ' ' C ' ' X' ' 11' ' ' LEU . 1.0 OUTLIER -138.95 -14.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.403 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm -113.49 76.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.279 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.48 32.16 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.221 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.582 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -97.42 -40.86 0.25 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.293 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 18.4 Cg_endo -78.88 5.97 5.29 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 122.075 1.85 . . . . 0.0 112.184 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.91 27.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.264 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -144.6 -14.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.493 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 68.15 42.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -103.73 -30.83 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' X' ' 1' ' ' MET . 2.1 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.712 0.292 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.08 162.46 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.37 -166.31 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.469 2.113 . . . . 0.0 112.084 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -122.24 32.9 5.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.51 -79.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -43.55 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.638 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.1 m -89.58 -6.15 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -84.43 -36.85 22.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.622 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.499 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 2.0 pp -79.03 -21.27 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.614 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.31 -24.63 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 0.0 110.223 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -85.11 -19.44 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.26 -67.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.471 ' C ' ' OD1' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.68 -54.73 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.39 74.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.567 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' X' ' 17' ' ' ASP . 0.2 OUTLIER -119.49 7.69 11.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.784 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.53 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.1 OUTLIER -95.19 -42.82 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.615 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 72.7 Cg_endo -84.82 -11.74 7.68 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.195 1.93 . . . . 0.0 112.3 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -92.14 31.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -141.74 -60.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -156.54 145.04 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -157.56 -56.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' X' ' 4' ' ' ARG . . . -89.75 162.93 34.57 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.479 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.26 35.72 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.545 2.163 . . . . 0.0 112.024 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' X' ' 2' ' ' ALA . 12.9 mtp85 41.22 53.43 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.43 -79.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.15 -46.93 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -85.82 -8.24 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.73 -43.14 23.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.89 -25.47 62.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.08 -45.41 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.2 -18.19 65.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -71.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.35 -35.84 82.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.487 ' C ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.69 -54.23 5.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.433 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 31.7 mm -107.67 71.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' X' ' 17' ' ' ASP . 0.4 OUTLIER -121.58 7.5 10.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.543 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -94.27 -41.24 0.31 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.465 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 50.9 Cg_endo -81.6 3.79 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.033 1.822 . . . . 0.0 112.396 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.0 37.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -52.91 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -49.43 153.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -98.5 109.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.576 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.827 0.346 . . . . 0.0 110.54 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.02 78.99 0.72 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.91 35.08 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.912 2.408 . . . . 0.0 112.18 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 42.72 38.54 1.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.568 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.78 -61.6 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' X' ' 8' ' ' CYS . 11.7 m-85 -67.66 -66.08 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 33.3 t -51.41 -10.56 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.509 ' H ' ' C ' ' X' ' 6' ' ' PHE . 0.6 OUTLIER -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.11 -8.55 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.077 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.16 -16.92 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.436 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -86.4 -21.52 27.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.3 -35.41 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.56 -48.85 78.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -104.29 74.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.01 23.98 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.129 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.546 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -96.51 -41.9 0.26 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.3 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 56.1 Cg_endo -81.68 22.02 0.88 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.085 1.856 . . . . 0.0 112.198 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.44 27.77 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.064 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -93.75 -65.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.555 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -43.06 -62.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -65.82 139.88 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.549 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.731 0.301 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.7 81.43 0.24 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' X' ' 5' ' ' GLY . 74.0 Cg_endo -82.54 35.01 0.56 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.757 2.304 . . . . 0.0 112.286 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.3 20.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.635 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -132.91 -71.68 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -36.09 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 110.76 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m -95.55 -5.5 42.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.773 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' X' ' 5' ' ' GLY . 4.6 t -90.69 -35.26 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.47 -15.14 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.8 -15.78 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -39.41 78.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.39 -51.54 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -51.12 -23.27 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.5 -60.78 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mt -89.42 63.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.62 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.92 32.63 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.451 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.53 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.1 OUTLIER -102.45 -41.89 0.2 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.814 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 44.7 Cg_endo -79.05 12.52 2.25 Favored 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 121.968 1.779 . . . . 0.0 112.793 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.44 27.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.067 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -143.4 -25.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.28 -171.79 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.376 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -79.46 -37.71 36.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.645 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' X' ' 3' ' ' PRO . . . -171.92 169.31 2.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' X' ' 2' ' ' ALA . 50.1 Cg_exo -47.1 -175.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 122.476 2.117 . . . . 0.0 112.411 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -121.65 36.9 4.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.518 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -159.84 -82.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -47.31 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.555 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -87.13 -6.96 58.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' X' ' 5' ' ' GLY . 2.2 t -82.49 -38.18 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.15 -21.72 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.97 -22.11 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.25 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 -36.89 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.362 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.26 -51.18 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' X' ' 15' ' ' GLU . 17.8 p -57.73 -55.66 31.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.331 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.454 ' C ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 0.4 OUTLIER -89.69 -55.98 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.693 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.407 ' O ' ' CG2' ' X' ' 16' ' ' ILE . 88.5 mt -103.81 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.78 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' X' ' 17' ' ' ASP . 0.1 OUTLIER -99.22 -42.29 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.706 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -98.59 -40.79 0.24 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 9.1 Cg_endo -76.03 17.42 0.72 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.975 1.783 . . . . 0.0 111.776 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' X' ' 20' ' ' VAL . 12.5 p -90.94 25.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.959 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -153.76 -50.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.464 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -76.24 130.48 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -102.18 -47.99 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.85 162.59 37.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.456 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -69.63 -166.45 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.527 2.151 . . . . 0.0 112.03 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -122.56 34.43 5.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -47.93 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.336 . . . . 0.0 110.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -85.84 -6.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.22 -44.2 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' X' ' 13' ' ' THR . 96.5 mt -77.74 -17.45 57.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.434 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' X' ' 13' ' ' THR . 3.9 tp -74.69 -64.61 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' X' ' 12' ' ' LEU . 3.7 mm? -49.65 -12.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.494 ' H ' ' C ' ' X' ' 11' ' ' LEU . 75.0 p -97.05 -25.23 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.405 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.72 -53.19 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm -105.79 74.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.12 29.98 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.477 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -95.92 -42.22 0.27 Allowed Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.2 Cg_endo -84.56 16.82 1.86 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.345 2.03 . . . . 0.0 112.25 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -145.26 63.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -143.41 -175.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -102.05 36.05 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -145.4 21.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.774 0.321 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' X' ' 4' ' ' ARG . . . -100.62 163.01 18.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.95 33.84 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.602 2.201 . . . . 0.0 112.064 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' X' ' 2' ' ' ALA . 4.2 ttt180 41.07 61.24 1.8 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.52 -79.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -66.79 -2.86 5.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.35 -50.89 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.74 -20.46 62.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.56 -33.32 70.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.417 ' O ' ' OG ' ' X' ' 14' ' ' DSN . 4.5 tt -80.0 -22.63 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.41 8.13 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.2 p -137.65 -19.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.417 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.441 ' C ' ' H ' ' X' ' 17' ' ' ASP . 3.5 mm-40 -120.01 -51.63 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.662 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -80.8 35.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.15 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' X' ' 15' ' ' GLU . 3.9 m-20 -98.95 17.82 18.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.358 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.531 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.1 OUTLIER -96.68 -42.75 0.26 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.533 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.5 Cg_endo -84.08 26.45 0.65 Allowed 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 122.232 1.954 . . . . 0.0 112.326 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 p -143.8 32.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.428 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -148.02 -78.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -168.35 152.0 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -99.73 148.41 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.19 73.84 0.91 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.41 36.03 0.59 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 123.105 2.536 . . . . 0.0 112.1 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 62.47 36.07 14.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.48 -79.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.3 -55.57 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.701 0.286 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 11.91 4.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.511 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.36 -35.74 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -81.12 -18.61 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.708 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.11 -15.17 58.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.324 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.34 -4.99 55.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.301 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' X' ' 12' ' ' LEU . 0.1 OUTLIER -103.26 -37.61 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.3 p -72.54 -12.67 61.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.735 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.507 ' HG ' ' CG ' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.08 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' X' ' 16' ' ' ILE . 89.4 mt -76.77 50.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.493 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.507 ' CG ' ' HG ' ' X' ' 14' ' ' DSN . 2.8 t70 -100.2 24.55 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.546 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -96.22 -41.97 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.7 Cg_endo -85.46 -49.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.322 2.015 . . . . 0.0 112.268 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.45 38.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.601 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' X' ' 19' ' ' PRO . 73.4 tttt -91.68 -80.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . 0.466 ' CG ' ' H ' ' X' ' 23' ' ' ARG . 5.4 tpp180 63.69 -143.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.587 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.466 ' H ' ' CG ' ' X' ' 22' ' ' ARG . 21.7 mtt180 -85.39 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.1 mtp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.805 0.336 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' X' ' 3' ' ' PRO . . . -139.17 97.38 8.66 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' X' ' 2' ' ' ALA . 31.3 Cg_exo -55.76 -147.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.983 1.789 . . . . 0.0 111.849 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -120.13 44.8 2.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.478 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.04 -86.84 0.06 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.84 -48.66 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -82.21 -15.43 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 t -74.33 -48.62 27.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.38 -16.91 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' X' ' 13' ' ' THR . 91.8 mt -89.97 -34.1 16.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.004 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' X' ' 13' ' ' THR . 3.7 tt -78.55 -49.78 12.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.503 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.81 -21.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' X' ' 10' ' ' LEU . 39.5 p -89.8 -48.11 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.404 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.94 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.241 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 8.5 mm -74.15 53.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.549 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.33 -1.61 6.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.528 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.1 OUTLIER -100.51 -42.18 0.22 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.571 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 63.7 Cg_endo -83.28 -7.39 10.94 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.118 1.879 . . . . 0.0 112.333 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.54 29.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.034 0.445 . . . . 0.0 110.484 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -159.06 -33.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -68.16 114.18 6.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.55 -71.78 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.428 ' O ' ' O ' ' X' ' 2' ' ' ALA . 16.4 mtp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' X' ' 7' ' ' SER . . . 44.52 96.42 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' X' ' 5' ' ' GLY . 61.9 Cg_endo -80.55 168.12 18.33 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 121.655 1.57 . . . . 0.0 111.492 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -70.73 41.27 0.06 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.346 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' X' ' 3' ' ' PRO . . . -142.96 -79.68 0.05 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -39.58 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' X' ' 2' ' ' ALA . 0.8 OUTLIER -85.37 -29.81 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -47.69 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.06 -29.41 69.75 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.684 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.9 -44.1 50.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.316 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.61 -39.58 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.53 -28.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' X' ' 14' ' ' DSN . 5.4 p -105.74 -55.24 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.461 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.428 ' CB ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.59 -65.94 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.15 69.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.428 ' OD2' ' CB ' ' X' ' 14' ' ' DSN . 0.2 OUTLIER -107.22 24.37 12.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.536 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.1 OUTLIER -95.48 -42.64 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.509 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 63.9 Cg_endo -83.07 -39.26 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.209 1.939 . . . . 0.0 112.435 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.59 36.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' X' ' 19' ' ' PRO . 7.1 pttp -76.19 -43.43 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . 0.452 ' N ' ' CG ' ' X' ' 21' ' ' LYS . 14.3 mtp180 -99.4 176.01 5.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -91.62 132.46 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' X' ' 4' ' ' ARG . . . 56.7 162.71 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.3 35.94 0.25 Allowed 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.542 2.162 . . . . 0.0 111.948 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' X' ' 2' ' ' ALA . 21.4 mmm-85 41.48 39.25 1.02 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.589 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.81 -74.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -47.22 33.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -85.05 -6.34 59.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -43.15 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.58 -23.44 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.58 -34.13 35.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.315 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.5 OUTLIER -66.9 -36.65 82.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.541 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.22 18.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.498 ' H ' ' C ' ' X' ' 11' ' ' LEU . 43.7 p -142.71 -15.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.635 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.418 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' X' ' 17' ' ' ASP . 3.4 mm-40 -113.97 -46.09 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.587 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.2 tt -79.98 35.04 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.205 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' X' ' 15' ' ' GLU . 0.2 OUTLIER -99.03 29.09 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.34 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.557 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -98.17 -41.62 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.538 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 58.7 Cg_endo -82.54 26.16 0.65 Allowed 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.24 1.96 . . . . 0.0 112.308 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' X' ' 20' ' ' VAL . 12.7 p -107.54 29.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.072 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' X' ' 22' ' ' ARG . 16.1 tttt -143.69 -101.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' X' ' 21' ' ' LYS . 28.9 ttt180 -161.97 155.5 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -58.35 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.91 73.45 4.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.67 35.96 0.58 Allowed 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 123.138 2.559 . . . . 0.0 112.11 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 61.82 42.9 9.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.628 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 -86.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.52 -59.15 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.516 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -78.23 11.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -102.79 -42.2 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.08 -21.19 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -75.64 -43.15 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.395 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.8 OUTLIER -70.54 -32.96 70.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.68 9.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 13' ' ' THR . . . . . 0.468 ' H ' ' C ' ' X' ' 11' ' ' LEU . 65.9 p -140.55 -12.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' X' ' 17' ' ' ASP . 5.2 mm-40 -112.43 -44.78 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -79.99 37.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.149 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' X' ' 15' ' ' GLU . 0.5 OUTLIER -97.08 30.81 2.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.695 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -94.56 -42.7 0.29 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.446 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.7 Cg_endo -84.7 -27.49 1.29 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.332 2.021 . . . . 0.0 112.212 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 21.0 t -101.45 50.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -87.85 -60.26 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -129.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 47.82 -154.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.498 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.52 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.767 0.317 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.34 162.62 21.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -69.57 -166.83 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.533 2.155 . . . . 0.0 112.085 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -121.68 34.49 5.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.536 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.58 -79.17 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -89.25 -8.69 52.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -38.82 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.53 -21.58 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -82.75 -22.94 34.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.44 -19.85 38.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.22 -24.3 57.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.0 -29.44 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.422 ' OG ' ' OD1' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -113.6 -36.76 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.686 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -84.58 35.58 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.442 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.422 ' OD1' ' OG ' ' X' ' 14' ' ' DSN . 57.5 m-20 -90.99 48.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.034 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -105.84 -41.28 0.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.717 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 49.9 Cg_endo -81.62 25.84 0.64 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.134 1.89 . . . . 0.0 112.043 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' X' ' 20' ' ' VAL . 11.6 p -123.16 30.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.051 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.3 -25.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.471 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -73.05 98.45 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -70.03 -58.42 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.801 0.334 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' X' ' 3' ' ' PRO . . . -161.77 98.45 1.22 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . 0.476 ' O ' ' O ' ' X' ' 2' ' ' ALA . 31.7 Cg_exo -55.37 -146.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.001 1.801 . . . . 0.0 111.917 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 49.64 14.69 0.12 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.52 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' X' ' 3' ' ' PRO . . . -171.26 -67.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' X' ' 8' ' ' CYS . 0.2 OUTLIER -49.58 -59.87 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.547 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -77.06 12.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.1 OUTLIER -103.49 -42.22 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.574 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.7 pp -75.56 -15.95 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.16 -18.76 38.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -39.34 60.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.49 -55.86 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -50.49 -50.32 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 14' ' ' DSN . . . . . 0.431 ' OG ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -69.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.86 66.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 17' ' ' ASP . . . . . 0.431 ' OD2' ' OG ' ' X' ' 14' ' ' DSN . 13.8 t0 -99.35 -42.23 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.7 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 18' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -98.37 -40.86 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.148 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 10.2 Cg_endo -77.22 15.4 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.047 1.831 . . . . 0.0 111.879 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 20' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' X' ' 20' ' ' VAL . 11.5 p -88.48 27.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -144.12 -46.85 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.574 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.61 133.2 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 23' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' X' ' 24' ' ' ALA . 5.7 ptm180 -86.77 35.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' X' ' 23' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.48 -79.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -46.56 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -87.34 -8.35 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.39 -38.23 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.7 -23.49 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.87 -17.85 52.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.28 -32.44 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.52 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.78 -88.82 0.23 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -38.97 64.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.548 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.23 -5.97 57.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -43.46 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.06 -14.81 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.27 -16.08 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -39.3 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.72 -50.02 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.835 0.35 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 72.6 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.801 0.334 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.07 -80.19 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -45.46 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -86.17 -13.18 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.5 OUTLIER -75.58 -41.01 55.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.577 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -76.85 -19.52 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.3 -14.4 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -27.11 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.82 -18.28 62.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.311 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.9 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.604 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.06 -79.74 0.22 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -49.34 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.4 t -84.76 -1.52 56.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 5.6 t -87.99 -41.24 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.42 -21.57 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.9 -19.49 44.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.6 -26.53 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.59 -17.86 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.726 0.298 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.653 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.01 -79.88 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -48.44 26.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -83.86 -7.24 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -45.84 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.57 -21.83 63.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -14.22 55.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.19 -27.83 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -16.61 64.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.692 0.282 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.863 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.58 -78.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -48.62 18.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.566 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -85.54 -41.24 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.566 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -74.66 -20.96 59.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.33 -20.57 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.413 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.9 OUTLIER -75.2 -32.67 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.73 12.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.486 ' H ' ' C ' ' X' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.279 179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.51 -79.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -43.55 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.638 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.1 m -89.58 -6.15 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -84.43 -36.85 22.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.622 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.499 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 2.0 pp -79.03 -21.27 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.614 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.31 -24.63 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 0.0 110.223 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -85.11 -19.44 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.26 -67.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.567 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.43 -79.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.15 -46.93 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -85.82 -8.24 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.73 -43.14 23.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.89 -25.47 62.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' LEU . . . . . 0.577 HD13 HG13 ' X' ' 16' ' ' ILE . 96.3 mt -76.08 -45.41 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.433 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.2 -18.19 65.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -71.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.435 ' H ' HG23 ' X' ' 13' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.648 0.261 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.577 HG13 HD13 ' X' ' 10' ' ' LEU . 31.7 mm . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.862 0.363 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.78 -61.6 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.474 ' C ' ' H ' ' X' ' 8' ' ' CYS . 11.7 m-85 -67.66 -66.08 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 33.3 t -51.41 -10.56 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' X' ' 6' ' ' PHE . 0.6 OUTLIER -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.11 -8.55 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.077 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.16 -16.92 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.436 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -86.4 -21.52 27.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.3 -35.41 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.65 0.262 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.897 0.38 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 5' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -132.91 -71.68 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -36.09 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 110.76 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m -95.55 -5.5 42.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.773 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' X' ' 5' ' ' GLY . 4.6 t -90.69 -35.26 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.47 -15.14 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.8 -15.78 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.413 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.6 OUTLIER -69.13 -39.41 78.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.568 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.39 -51.54 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.732 0.301 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.62 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.803 0.335 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -159.84 -82.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -47.31 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.555 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -87.13 -6.96 58.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' X' ' 5' ' ' GLY . 2.2 t -82.49 -38.18 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.15 -21.72 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.97 -22.11 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.25 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.596 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.71 -36.89 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.362 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.26 -51.18 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.406 ' OG1' ' OE1' ' X' ' 15' ' ' GLU . 17.8 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.331 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 15' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.67 0.271 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.624 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.5 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.78 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -47.93 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.336 . . . . 0.0 110.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -85.84 -6.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.22 -44.2 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.459 ' O ' HG23 ' X' ' 13' ' ' THR . 1.9 pp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 10' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' X' ' 13' ' ' THR . 96.5 mt -77.74 -17.45 57.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.434 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.502 HD12 ' O ' ' X' ' 16' ' ' ILE . 3.9 tp -74.69 -64.61 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.502 HD22 ' N ' ' X' ' 12' ' ' LEU . 3.7 mm? -49.65 -12.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.459 HG23 ' O ' ' X' ' 9' ' ' LEU . 75.0 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.771 0.319 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.502 ' O ' HD12 ' X' ' 11' ' ' LEU . 3.6 mm . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.52 -79.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -66.79 -2.86 5.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.35 -50.89 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.74 -20.46 62.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.56 -33.32 70.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -80.0 -22.63 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.41 8.13 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.539 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 CA--C 1.522 -0.102 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.645 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.15 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.48 -79.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.3 -55.57 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.701 0.286 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 11.91 4.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.511 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.36 -35.74 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -81.12 -18.61 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.708 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.11 -15.17 58.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.324 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.34 -4.99 55.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.301 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.857 ' O ' HD12 ' X' ' 12' ' ' LEU . 0.1 OUTLIER -103.26 -37.61 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.735 -179.702 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.689 0.28 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 89.4 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.493 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.04 -86.84 0.06 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.84 -48.66 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -82.21 -15.43 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 t -74.33 -48.62 27.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.38 -16.91 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 10' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' X' ' 13' ' ' THR . 91.8 mt -89.97 -34.1 16.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.004 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' X' ' 13' ' ' THR . 3.7 tt -78.55 -49.78 12.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.503 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.81 -21.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' X' ' 10' ' ' LEU . 39.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.715 0.293 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.549 179.853 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.96 -79.68 0.05 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -39.58 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.37 -29.81 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -47.69 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.06 -29.41 69.75 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.684 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 10' ' ' LEU . . . . . 0.692 HD13 ' CG1' ' X' ' 16' ' ' ILE . 97.7 mt -74.9 -44.1 50.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.316 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.61 -39.58 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.53 -28.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.461 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.692 ' CG1' HD13 ' X' ' 10' ' ' LEU . 19.1 mm . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.833 0.349 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.81 -74.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -47.22 33.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -85.05 -6.34 59.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -43.15 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.58 -23.44 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.58 -34.13 35.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.315 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.5 OUTLIER -66.9 -36.65 82.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.541 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.22 18.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.457 ' H ' ' C ' ' X' ' 11' ' ' LEU . 43.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.635 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 CA--C 1.521 -0.147 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.2 tt . . . . . 0 N--CA 1.445 -0.686 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.205 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.806 0.336 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 -86.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.52 -59.15 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.516 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -78.23 11.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -102.79 -42.2 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.08 -21.19 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -75.64 -43.15 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.395 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.8 OUTLIER -70.54 -32.96 70.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.68 9.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 13' ' ' THR . . . . . 0.445 ' H ' ' C ' ' X' ' 11' ' ' LEU . 65.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.149 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.58 -79.17 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -89.25 -8.69 52.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -38.82 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.53 -21.58 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -82.75 -22.94 34.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.44 -19.85 38.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.22 -24.3 57.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.668 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.442 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.26 -67.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -59.87 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.547 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -77.06 12.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 8' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.1 OUTLIER -103.49 -42.22 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.574 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.7 pp -75.56 -15.95 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.16 -18.76 38.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -39.34 60.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.49 -55.86 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 16' ' ' ILE . . . . . 0.405 HD13 HG21 ' X' ' 16' ' ' ILE . 21.8 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -73.43 162.94 71.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 49.9 Cg_endo -70.48 36.02 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' X' ' 2' ' ' ALA . 52.8 mtp85 41.68 52.9 3.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.48 -79.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -46.56 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -87.34 -8.35 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.39 -38.23 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.7 -23.49 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.87 -17.85 52.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.28 -32.44 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.52 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 33.4 p -61.79 -20.4 63.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.25 -58.75 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.669 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -98.52 70.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.424 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.6 OUTLIER -102.79 30.53 4.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.613 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -95.3 -42.28 0.28 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.1 Cg_endo -84.8 20.47 1.23 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.352 2.034 . . . . 0.0 112.237 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.708 HG22 ' O ' ' X' ' 20' ' ' VAL . 11.5 p -146.84 42.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.513 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -151.82 -64.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -139.28 170.2 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -56.12 -43.8 78.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -68.75 162.51 63.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 38.6 Cg_endo -69.4 -166.55 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.626 2.217 . . . . 0.0 112.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -121.44 36.1 4.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.78 -88.82 0.23 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -38.97 64.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.548 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.23 -5.97 57.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -43.46 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.06 -14.81 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.27 -16.08 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -39.3 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.72 -50.02 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -54.21 -55.94 23.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.24 -60.53 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 72.6 mt -78.0 52.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.503 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.4 OUTLIER -119.68 -3.41 10.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.488 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.61 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -100.17 -42.02 0.22 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.442 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 61.6 Cg_endo -83.48 2.46 8.34 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.1 1.866 . . . . 0.0 112.35 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.83 30.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' X' ' 19' ' ' PRO . 26.0 tttt -148.26 -41.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -91.97 70.16 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -93.88 -14.29 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.834 0.349 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -159.3 162.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 50.2 Cg_endo -70.48 36.19 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.596 2.197 . . . . 0.0 111.89 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' X' ' 2' ' ' ALA . 20.1 ttp-105 52.6 68.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.503 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.07 -80.19 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -45.46 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -86.17 -13.18 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.5 OUTLIER -75.58 -41.01 55.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.577 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -76.85 -19.52 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.3 -14.4 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -27.11 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.82 -18.28 62.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 2.8 p -95.15 -24.11 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.21 -67.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.9 mm -77.51 57.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.604 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.505 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -129.13 -13.04 4.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.595 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -101.17 -41.96 0.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.375 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 67.9 Cg_endo -84.26 14.3 2.47 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.241 1.961 . . . . 0.0 112.44 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.98 29.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.443 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -149.32 143.83 26.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -101.37 -178.26 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -10.44 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.74 73.74 0.85 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.72 35.98 0.58 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.177 2.584 . . . . 0.0 112.027 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 54.11 87.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.06 -79.74 0.22 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -49.34 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.4 t -84.76 -1.52 56.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 5.6 t -87.99 -41.24 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.42 -21.57 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.9 -19.49 44.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.6 -26.53 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.59 -17.86 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -96.78 -24.34 15.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.96 -67.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.653 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.2 mt -77.54 56.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.606 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.454 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -128.68 -14.97 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.553 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.625 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -96.64 -42.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.4 Cg_endo -85.1 15.23 2.26 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.272 1.981 . . . . 0.0 112.144 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.711 ' O ' HG12 ' X' ' 20' ' ' VAL . 55.5 t -101.47 39.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -168.53 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -63.53 -48.76 76.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -138.4 -75.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.424 ' O ' ' O ' ' X' ' 2' ' ' ALA . 25.1 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.775 0.321 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . 56.11 162.53 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 39.0 Cg_endo -69.45 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.577 2.185 . . . . 0.0 112.091 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -123.08 34.73 5.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.01 -79.88 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -48.44 26.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -83.86 -7.24 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -45.84 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.57 -21.83 63.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -14.22 55.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.19 -27.83 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -16.61 64.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -28.01 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.507 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.37 -64.86 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.401 HG23 ' HG2' ' X' ' 19' ' ' PRO . 12.1 mm -89.82 58.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.863 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' X' ' 17' ' ' ASP . 0.0 OUTLIER -110.91 -12.48 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -103.42 -40.76 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 10.2 Cg_endo -78.76 15.49 1.46 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.264 1.976 . . . . 0.0 112.682 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.64 27.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 110.221 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -134.14 -33.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -97.77 -158.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 48.67 -143.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -142.56 163.14 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.456 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 50.9 Cg_endo -70.7 36.04 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.52 2.147 . . . . 0.0 111.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 4' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' X' ' 2' ' ' ALA . 12.7 mtp85 41.34 42.76 1.9 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.58 -78.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -48.62 18.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.566 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -85.54 -41.24 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.566 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -74.66 -20.96 59.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.33 -20.57 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.413 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.9 OUTLIER -75.2 -32.67 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.73 12.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.486 ' H ' ' C ' ' X' ' 11' ' ' LEU . 1.0 OUTLIER -138.95 -14.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.412 HG22 ' CD ' ' X' ' 19' ' ' PRO . 3.6 mm -113.49 76.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.279 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.48 32.16 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.221 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.582 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -97.42 -40.86 0.25 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.293 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 18.4 Cg_endo -78.88 5.97 5.29 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 122.075 1.85 . . . . 0.0 112.184 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.91 27.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.264 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -144.6 -14.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.493 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 68.15 42.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -103.73 -30.83 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.712 0.292 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -93.08 162.46 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.48 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 38.3 Cg_endo -69.37 -166.31 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.469 2.113 . . . . 0.0 112.084 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -122.24 32.9 5.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.51 -79.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -43.55 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.638 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.1 m -89.58 -6.15 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -84.43 -36.85 22.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.622 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.499 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 2.0 pp -79.03 -21.27 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.614 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.31 -24.63 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 0.0 110.223 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -85.11 -19.44 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.26 -67.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.471 ' C ' ' OD1' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.68 -54.73 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.39 74.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.567 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' X' ' 17' ' ' ASP . 0.2 OUTLIER -119.49 7.69 11.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.784 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.649 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -95.19 -42.82 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.615 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 72.7 Cg_endo -84.82 -11.74 7.68 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.195 1.93 . . . . 0.0 112.3 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -92.14 31.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -141.74 -60.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -156.54 145.04 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -157.56 -56.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -89.75 162.93 34.57 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.479 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 47.2 Cg_endo -70.26 35.72 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.545 2.163 . . . . 0.0 112.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 4' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' X' ' 2' ' ' ALA . 12.9 mtp85 41.22 53.43 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.43 -79.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.15 -46.93 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -85.82 -8.24 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.73 -43.14 23.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.89 -25.47 62.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.577 HD13 HG13 ' X' ' 16' ' ' ILE . 96.3 mt -76.08 -45.41 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.433 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.2 -18.19 65.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -71.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.435 ' H ' HG23 ' X' ' 13' ' ' THR . 1.0 OUTLIER -64.35 -35.84 82.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.487 ' C ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.69 -54.23 5.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.433 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.577 HG13 HD13 ' X' ' 10' ' ' LEU . 31.7 mm -107.67 71.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.482 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' X' ' 17' ' ' ASP . 0.4 OUTLIER -121.58 7.5 10.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.543 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.6 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -94.27 -41.24 0.31 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.465 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 50.9 Cg_endo -81.6 3.79 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.033 1.822 . . . . 0.0 112.396 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.415 ' O ' HG12 ' X' ' 20' ' ' VAL . 4.7 t -146.0 37.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -52.91 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -49.43 153.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -98.5 109.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.576 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.827 0.346 . . . . 0.0 110.54 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.02 78.99 0.72 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.91 35.08 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.912 2.408 . . . . 0.0 112.18 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 42.72 38.54 1.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.568 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.78 -61.6 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.474 ' C ' ' H ' ' X' ' 8' ' ' CYS . 11.7 m-85 -67.66 -66.08 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 33.3 t -51.41 -10.56 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' X' ' 6' ' ' PHE . 0.6 OUTLIER -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.11 -8.55 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.077 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.16 -16.92 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.436 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -86.4 -21.52 27.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.3 -35.41 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.56 -48.85 78.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -104.29 74.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.45 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.3 OUTLIER -120.01 23.98 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.129 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.639 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -96.51 -41.9 0.26 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.3 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 56.1 Cg_endo -81.68 22.02 0.88 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.085 1.856 . . . . 0.0 112.198 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.493 ' O ' HG13 ' X' ' 20' ' ' VAL . 5.2 p -122.44 27.77 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.064 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -93.75 -65.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.555 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -43.06 -62.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -65.82 139.88 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.549 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.731 0.301 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.7 81.43 0.24 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' X' ' 5' ' ' GLY . 74.0 Cg_endo -82.54 35.01 0.56 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.757 2.304 . . . . 0.0 112.286 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.3 20.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.635 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -132.91 -71.68 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -36.09 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 110.76 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m -95.55 -5.5 42.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.773 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' X' ' 5' ' ' GLY . 4.6 t -90.69 -35.26 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.47 -15.14 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.8 -15.78 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.413 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.6 OUTLIER -69.13 -39.41 78.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.568 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.39 -51.54 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -51.12 -23.27 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.403 ' HG ' ' CG ' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.5 -60.78 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mt -89.42 63.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.62 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.602 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.6 OUTLIER -101.92 32.63 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.451 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.652 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -41.89 0.2 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.814 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 44.7 Cg_endo -79.05 12.52 2.25 Favored 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 121.968 1.779 . . . . 0.0 112.793 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.44 27.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.067 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -143.4 -25.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.28 -171.79 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.376 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -79.46 -37.71 36.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.645 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -171.92 169.31 2.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.663 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 50.1 Cg_exo -47.1 -175.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 122.476 2.117 . . . . 0.0 112.411 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -121.65 36.9 4.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.518 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -159.84 -82.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -47.31 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.555 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -87.13 -6.96 58.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' X' ' 5' ' ' GLY . 2.2 t -82.49 -38.18 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.15 -21.72 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.97 -22.11 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.25 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.596 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.71 -36.89 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.362 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.26 -51.18 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.406 ' OG1' ' OE1' ' X' ' 15' ' ' GLU . 17.8 p -57.73 -55.66 31.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.331 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.454 ' C ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 0.4 OUTLIER -89.69 -55.98 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.693 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.624 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.5 mt -103.81 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.78 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' X' ' 17' ' ' ASP . 0.1 OUTLIER -99.22 -42.29 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.706 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -98.59 -40.79 0.24 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 9.1 Cg_endo -76.03 17.42 0.72 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.975 1.783 . . . . 0.0 111.776 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.737 HG22 ' O ' ' X' ' 20' ' ' VAL . 12.5 p -90.94 25.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.959 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -153.76 -50.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.464 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -76.24 130.48 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -102.18 -47.99 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.469 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -144.85 162.59 37.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.456 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 38.4 Cg_endo -69.63 -166.45 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.527 2.151 . . . . 0.0 112.03 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -122.56 34.43 5.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -47.93 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.336 . . . . 0.0 110.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -85.84 -6.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.22 -44.2 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.459 ' O ' HG23 ' X' ' 13' ' ' THR . 1.9 pp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' X' ' 13' ' ' THR . 96.5 mt -77.74 -17.45 57.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.434 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.564 HD11 HG21 ' X' ' 20' ' ' VAL . 3.9 tp -74.69 -64.61 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.502 HD22 ' N ' ' X' ' 12' ' ' LEU . 3.7 mm? -49.65 -12.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.459 HG23 ' O ' ' X' ' 9' ' ' LEU . 75.0 p -97.05 -25.23 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.455 ' N ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.72 -53.19 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.502 ' O ' HD12 ' X' ' 11' ' ' LEU . 3.6 mm -105.79 74.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.42 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.6 OUTLIER -104.12 29.98 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.477 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.606 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -95.92 -42.22 0.27 Allowed Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.2 Cg_endo -84.56 16.82 1.86 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.345 2.03 . . . . 0.0 112.25 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.564 HG21 HD11 ' X' ' 11' ' ' LEU . 11.0 t -145.26 63.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -143.41 -175.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -102.05 36.05 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -145.4 21.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.774 0.321 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -100.62 163.01 18.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 53.7 Cg_endo -70.95 33.84 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.602 2.201 . . . . 0.0 112.064 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 4' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' X' ' 2' ' ' ALA . 4.2 ttt180 41.07 61.24 1.8 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.52 -79.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -66.79 -2.86 5.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.35 -50.89 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.74 -20.46 62.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.56 -33.32 70.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' X' ' 14' ' ' DSN . 4.5 tt -80.0 -22.63 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.41 8.13 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.2 p -137.65 -19.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.414 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.01 -51.63 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.662 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -80.8 35.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.15 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.485 ' C ' HD23 ' X' ' 18' ' ' LEU . 3.9 m-20 -98.95 17.82 18.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.358 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.649 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -96.68 -42.75 0.26 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.533 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.5 Cg_endo -84.08 26.45 0.65 Allowed 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 122.232 1.954 . . . . 0.0 112.326 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.537 ' O ' HG13 ' X' ' 20' ' ' VAL . 6.8 p -143.8 32.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -148.02 -78.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -168.35 152.0 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -99.73 148.41 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.19 73.84 0.91 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.41 36.03 0.59 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 123.105 2.536 . . . . 0.0 112.1 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 62.47 36.07 14.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.48 -79.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.3 -55.57 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.701 0.286 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 11.91 4.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.511 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.36 -35.74 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -81.12 -18.61 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.708 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.11 -15.17 58.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.324 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.34 -4.99 55.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.301 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.857 ' O ' HD12 ' X' ' 12' ' ' LEU . 0.1 OUTLIER -103.26 -37.61 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.3 p -72.54 -12.67 61.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.735 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.08 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 89.4 mt -76.77 50.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.493 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.42 ' C ' HD23 ' X' ' 18' ' ' LEU . 2.8 t70 -100.2 24.55 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.582 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -96.22 -41.97 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.7 Cg_endo -85.46 -49.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.322 2.015 . . . . 0.0 112.268 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.45 38.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.601 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 21' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' X' ' 19' ' ' PRO . 73.4 tttt -91.68 -80.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' H ' ' X' ' 23' ' ' ARG . 5.4 tpp180 63.69 -143.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.587 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.421 ' H ' ' CG ' ' X' ' 22' ' ' ARG . 21.7 mtt180 -85.39 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.1 mtp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.805 0.336 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.727 ' HB1' ' CB ' ' X' ' 7' ' ' SER . . . -139.17 97.38 8.66 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' X' ' 2' ' ' ALA . 31.3 Cg_exo -55.76 -147.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.983 1.789 . . . . 0.0 111.849 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -120.13 44.8 2.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.478 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.04 -86.84 0.06 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.84 -48.66 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.727 ' CB ' ' HB1' ' X' ' 2' ' ' ALA . 14.3 t -82.21 -15.43 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 t -74.33 -48.62 27.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.38 -16.91 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' X' ' 13' ' ' THR . 91.8 mt -89.97 -34.1 16.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.004 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' X' ' 13' ' ' THR . 3.7 tt -78.55 -49.78 12.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.503 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.81 -21.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' X' ' 10' ' ' LEU . 39.5 p -89.8 -48.11 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.404 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.94 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.241 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.47 ' O ' HG21 ' X' ' 20' ' ' VAL . 8.5 mm -74.15 53.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.549 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.556 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.3 OUTLIER -126.33 -1.61 6.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.647 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -100.51 -42.18 0.22 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.571 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 63.7 Cg_endo -83.28 -7.39 10.94 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.118 1.879 . . . . 0.0 112.333 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.47 HG21 ' O ' ' X' ' 16' ' ' ILE . 2.5 m -104.54 29.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.034 0.445 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -159.06 -33.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -68.16 114.18 6.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.55 -71.78 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.428 ' O ' ' O ' ' X' ' 2' ' ' ALA . 16.4 mtp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.759 ' HB1' ' OG ' ' X' ' 7' ' ' SER . . . 44.52 96.42 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.487 ' C ' ' H ' ' X' ' 5' ' ' GLY . 61.9 Cg_endo -80.55 168.12 18.33 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 121.655 1.57 . . . . 0.0 111.492 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -70.73 41.27 0.06 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.346 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 5' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' X' ' 3' ' ' PRO . . . -142.96 -79.68 0.05 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -39.58 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.759 ' OG ' ' HB1' ' X' ' 2' ' ' ALA . 0.8 OUTLIER -85.37 -29.81 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -47.69 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.06 -29.41 69.75 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.684 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.692 HD13 ' CG1' ' X' ' 16' ' ' ILE . 97.7 mt -74.9 -44.1 50.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.316 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 1.073 HD11 HG21 ' X' ' 20' ' ' VAL . 1.1 mp -68.61 -39.58 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.587 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.53 -28.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -105.74 -55.24 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.461 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.428 ' CB ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.59 -65.94 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.692 ' CG1' HD13 ' X' ' 10' ' ' LEU . 19.1 mm -99.15 69.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.813 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.456 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -107.22 24.37 12.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.652 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -95.48 -42.64 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.509 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 63.9 Cg_endo -83.07 -39.26 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.209 1.939 . . . . 0.0 112.435 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 1.073 HG21 HD11 ' X' ' 11' ' ' LEU . 24.2 m -73.59 36.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 21' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' X' ' 19' ' ' PRO . 7.1 pttp -76.19 -43.43 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.452 ' N ' ' CG ' ' X' ' 21' ' ' LYS . 14.3 mtp180 -99.4 176.01 5.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -91.62 132.46 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . 56.7 162.71 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 48.2 Cg_endo -70.3 35.94 0.25 Allowed 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.542 2.162 . . . . 0.0 111.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 4' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' X' ' 2' ' ' ALA . 21.4 mmm-85 41.48 39.25 1.02 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.589 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.81 -74.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -47.22 33.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -85.05 -6.34 59.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -43.15 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.58 -23.44 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.58 -34.13 35.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.315 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.5 OUTLIER -66.9 -36.65 82.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.541 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.22 18.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.457 ' H ' ' C ' ' X' ' 11' ' ' LEU . 43.7 p -142.71 -15.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.635 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.514 ' O ' HD21 ' X' ' 18' ' ' LEU . 3.4 mm-40 -113.97 -46.09 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.587 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.2 tt -79.98 35.04 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.205 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' X' ' 15' ' ' GLU . 0.2 OUTLIER -99.03 29.09 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.34 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.557 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -98.17 -41.62 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.538 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 58.7 Cg_endo -82.54 26.16 0.65 Allowed 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.24 1.96 . . . . 0.0 112.308 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.714 HG22 ' O ' ' X' ' 20' ' ' VAL . 12.7 p -107.54 29.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.072 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 21' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' X' ' 22' ' ' ARG . 16.1 tttt -143.69 -101.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' X' ' 21' ' ' LYS . 28.9 ttt180 -161.97 155.5 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.43 ' HE ' ' C ' ' X' ' 22' ' ' ARG . 0.0 OUTLIER -90.26 -58.35 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.91 73.45 4.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.67 35.96 0.58 Allowed 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 123.138 2.559 . . . . 0.0 112.11 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 61.82 42.9 9.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.628 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 -86.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.52 -59.15 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.516 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -78.23 11.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -102.79 -42.2 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.08 -21.19 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -75.64 -43.15 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.395 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.8 OUTLIER -70.54 -32.96 70.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.68 9.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 13' ' ' THR . . . . . 0.445 ' H ' ' C ' ' X' ' 11' ' ' LEU . 65.9 p -140.55 -12.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.497 ' O ' HD21 ' X' ' 18' ' ' LEU . 5.2 mm-40 -112.43 -44.78 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -79.99 37.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.149 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.426 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.5 OUTLIER -97.08 30.81 2.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.695 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.635 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -94.56 -42.7 0.29 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.446 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.7 Cg_endo -84.7 -27.49 1.29 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.332 2.021 . . . . 0.0 112.212 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.494 ' O ' HG12 ' X' ' 20' ' ' VAL . 21.0 t -101.45 50.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -87.85 -60.26 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -129.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 47.82 -154.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.498 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.52 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.767 0.317 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -98.34 162.62 21.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 39.3 Cg_endo -69.57 -166.83 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.533 2.155 . . . . 0.0 112.085 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -121.68 34.49 5.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.536 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.58 -79.17 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -89.25 -8.69 52.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -38.82 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.53 -21.58 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -82.75 -22.94 34.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.44 -19.85 38.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.22 -24.3 57.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.0 -29.44 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.421 ' OG ' ' OD1' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.416 ' O ' HD21 ' X' ' 18' ' ' LEU . 7.5 mm-40 -113.6 -36.76 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.686 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -84.58 35.58 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.442 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.626 ' C ' HD23 ' X' ' 18' ' ' LEU . 57.5 m-20 -90.99 48.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.034 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.628 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -105.84 -41.28 0.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.717 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.558 ' CD ' ' H ' ' X' ' 18' ' ' LEU . 49.9 Cg_endo -81.62 25.84 0.64 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.134 1.89 . . . . 0.0 112.043 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.737 HG22 ' O ' ' X' ' 20' ' ' VAL . 11.6 p -123.16 30.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.051 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.3 -25.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.471 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -73.05 98.45 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -70.03 -58.42 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.801 0.334 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 2' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' X' ' 3' ' ' PRO . . . -161.77 98.45 1.22 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 3' ' ' PRO . . . . . 0.476 ' O ' ' O ' ' X' ' 2' ' ' ALA . 31.7 Cg_exo -55.37 -146.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.001 1.801 . . . . 0.0 111.917 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 49.64 14.69 0.12 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.52 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 5' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' X' ' 3' ' ' PRO . . . -171.26 -67.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -59.87 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.547 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -77.06 12.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.1 OUTLIER -103.49 -42.22 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.574 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.7 pp -75.56 -15.95 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.16 -18.76 38.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -39.34 60.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.49 -55.86 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -50.49 -50.32 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 14' ' ' DSN . . . . . 0.431 ' OG ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -69.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 16' ' ' ILE . . . . . 0.546 HG22 ' HB ' ' X' ' 20' ' ' VAL . 21.8 mt -87.86 66.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 17' ' ' ASP . . . . . 0.431 ' OD2' ' OG ' ' X' ' 14' ' ' DSN . 13.8 t0 -99.35 -42.23 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.7 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 18' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -98.37 -40.86 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.148 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 10.2 Cg_endo -77.22 15.4 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.047 1.831 . . . . 0.0 111.879 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 20' ' ' VAL . . . . . 0.743 HG22 ' O ' ' X' ' 20' ' ' VAL . 11.5 p -88.48 27.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -144.12 -46.85 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.574 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.61 133.2 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 23' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' X' ' 24' ' ' ALA . 5.7 ptm180 -86.77 35.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' X' ' 23' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.48 -79.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -46.56 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -87.34 -8.35 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.39 -38.23 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.7 -23.49 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.87 -17.85 52.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.28 -32.44 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.52 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.78 -88.82 0.23 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -38.97 64.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.548 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.23 -5.97 57.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -43.46 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.06 -14.81 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.27 -16.08 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -39.3 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.72 -50.02 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.835 0.35 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 72.6 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.801 0.334 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.07 -80.19 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -45.46 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -86.17 -13.18 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.5 OUTLIER -75.58 -41.01 55.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.577 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -76.85 -19.52 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.3 -14.4 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -27.11 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.82 -18.28 62.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.752 0.311 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.9 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.604 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.06 -79.74 0.22 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -49.34 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.4 t -84.76 -1.52 56.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 5.6 t -87.99 -41.24 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.42 -21.57 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.9 -19.49 44.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.6 -26.53 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.59 -17.86 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.726 0.298 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.653 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.606 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.01 -79.88 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -48.44 26.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -83.86 -7.24 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -45.84 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.57 -21.83 63.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -14.22 55.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.19 -27.83 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -16.61 64.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.692 0.282 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.863 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.58 -78.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -48.62 18.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.566 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -85.54 -41.24 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.566 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -74.66 -20.96 59.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.33 -20.57 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.413 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.9 OUTLIER -75.2 -32.67 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.73 12.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.486 ' H ' ' C ' ' X' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.279 179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.51 -79.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -43.55 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.638 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.1 m -89.58 -6.15 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -84.43 -36.85 22.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.622 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.499 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 2.0 pp -79.03 -21.27 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.614 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.31 -24.63 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 0.0 110.223 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -85.11 -19.44 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.26 -67.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.567 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.43 -79.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.15 -46.93 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -85.82 -8.24 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.73 -43.14 23.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.89 -25.47 62.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . 0.577 HD13 HG13 ' X' ' 16' ' ' ILE . 96.3 mt -76.08 -45.41 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.433 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.2 -18.19 65.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -71.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.435 ' H ' HG23 ' X' ' 13' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.648 0.261 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.577 HG13 HD13 ' X' ' 10' ' ' LEU . 31.7 mm . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.862 0.363 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.78 -61.6 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.474 ' C ' ' H ' ' X' ' 8' ' ' CYS . 11.7 m-85 -67.66 -66.08 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 33.3 t -51.41 -10.56 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' X' ' 6' ' ' PHE . 0.6 OUTLIER -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.11 -8.55 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.077 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.16 -16.92 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.436 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -86.4 -21.52 27.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.3 -35.41 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.65 0.262 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.897 0.38 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -132.91 -71.68 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -36.09 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 110.76 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m -95.55 -5.5 42.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.773 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' X' ' 5' ' ' GLY . 4.6 t -90.69 -35.26 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.47 -15.14 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.8 -15.78 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.413 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.6 OUTLIER -69.13 -39.41 78.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.568 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.39 -51.54 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.732 0.301 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.62 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.803 0.335 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -159.84 -82.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -47.31 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.555 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -87.13 -6.96 58.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' X' ' 5' ' ' GLY . 2.2 t -82.49 -38.18 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.15 -21.72 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.97 -22.11 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.25 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.596 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.71 -36.89 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.362 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.26 -51.18 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.406 ' OG1' ' OE1' ' X' ' 15' ' ' GLU . 17.8 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.331 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.67 0.271 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.624 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.5 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.78 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -47.93 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.336 . . . . 0.0 110.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -85.84 -6.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.22 -44.2 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.459 ' O ' HG23 ' X' ' 13' ' ' THR . 1.9 pp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' X' ' 13' ' ' THR . 96.5 mt -77.74 -17.45 57.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.434 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.502 HD12 ' O ' ' X' ' 16' ' ' ILE . 3.9 tp -74.69 -64.61 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.502 HD22 ' N ' ' X' ' 12' ' ' LEU . 3.7 mm? -49.65 -12.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.459 HG23 ' O ' ' X' ' 9' ' ' LEU . 75.0 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.771 0.319 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.502 ' O ' HD12 ' X' ' 11' ' ' LEU . 3.6 mm . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.52 -79.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -66.79 -2.86 5.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.35 -50.89 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.74 -20.46 62.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.56 -33.32 70.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -80.0 -22.63 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.41 8.13 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.539 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 CA--C 1.522 -0.102 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.645 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.15 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.48 -79.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.3 -55.57 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.701 0.286 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 11.91 4.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.511 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.36 -35.74 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -81.12 -18.61 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.708 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.11 -15.17 58.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.324 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.34 -4.99 55.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.301 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.857 ' O ' HD12 ' X' ' 12' ' ' LEU . 0.1 OUTLIER -103.26 -37.61 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.735 -179.702 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.689 0.28 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 89.4 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.493 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.04 -86.84 0.06 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.84 -48.66 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -82.21 -15.43 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 t -74.33 -48.62 27.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.38 -16.91 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' X' ' 13' ' ' THR . 91.8 mt -89.97 -34.1 16.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.004 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' X' ' 13' ' ' THR . 3.7 tt -78.55 -49.78 12.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.503 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.81 -21.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' X' ' 10' ' ' LEU . 39.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.715 0.293 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.549 179.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.96 -79.68 0.05 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -39.58 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.37 -29.81 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -47.69 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.06 -29.41 69.75 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.684 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . 0.692 HD13 ' CG1' ' X' ' 16' ' ' ILE . 97.7 mt -74.9 -44.1 50.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.316 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.61 -39.58 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.53 -28.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.461 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.692 ' CG1' HD13 ' X' ' 10' ' ' LEU . 19.1 mm . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.813 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.833 0.349 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.81 -74.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -47.22 33.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -85.05 -6.34 59.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -43.15 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.58 -23.44 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.58 -34.13 35.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.315 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.5 OUTLIER -66.9 -36.65 82.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.541 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.22 18.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.457 ' H ' ' C ' ' X' ' 11' ' ' LEU . 43.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.635 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 CA--C 1.521 -0.147 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.2 tt . . . . . 0 N--CA 1.445 -0.686 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.205 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.806 0.336 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 -86.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.52 -59.15 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.516 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -78.23 11.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -102.79 -42.2 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.08 -21.19 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -75.64 -43.15 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.395 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.8 OUTLIER -70.54 -32.96 70.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.68 9.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . 0.445 ' H ' ' C ' ' X' ' 11' ' ' LEU . 65.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.149 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.58 -79.17 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -89.25 -8.69 52.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -38.82 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.53 -21.58 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -82.75 -22.94 34.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.44 -19.85 38.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.22 -24.3 57.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.666 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.446 -0.668 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.442 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.966 0.412 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.26 -67.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -59.87 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.547 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -77.06 12.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 8' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.1 OUTLIER -103.49 -42.22 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.574 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.7 pp -75.56 -15.95 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.16 -18.76 38.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -39.34 60.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.49 -55.86 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.763 0.316 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 16' ' ' ILE . . . . . 0.405 HD13 HG21 ' X' ' 16' ' ' ILE . 21.8 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -73.43 162.94 71.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 49.9 Cg_endo -70.48 36.02 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' X' ' 2' ' ' ALA . 52.8 mtp85 41.68 52.9 3.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.48 -79.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -46.56 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -87.34 -8.35 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.39 -38.23 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.7 -23.49 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.87 -17.85 52.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.409 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tt -71.28 -32.44 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.52 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 33.4 p -61.79 -20.4 63.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.25 -58.75 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.669 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -98.52 70.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.424 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.6 OUTLIER -102.79 30.53 4.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.613 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -95.3 -42.28 0.28 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.1 Cg_endo -84.8 20.47 1.23 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.352 2.034 . . . . 0.0 112.237 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.708 HG22 ' O ' ' X' ' 20' ' ' VAL . 11.5 p -146.84 42.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.513 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -151.82 -64.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -139.28 170.2 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -56.12 -43.8 78.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -68.75 162.51 63.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.472 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 38.6 Cg_endo -69.4 -166.55 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.626 2.217 . . . . 0.0 112.031 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -121.44 36.1 4.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.78 -88.82 0.23 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -38.97 64.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.548 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.23 -5.97 57.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -43.46 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.662 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.06 -14.81 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.27 -16.08 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.342 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.6 -39.3 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.72 -50.02 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -54.21 -55.94 23.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.24 -60.53 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 72.6 mt -78.0 52.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.503 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.4 OUTLIER -119.68 -3.41 10.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.488 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.61 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -100.17 -42.02 0.22 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.442 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 61.6 Cg_endo -83.48 2.46 8.34 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 C-N-CA 122.1 1.866 . . . . 0.0 112.35 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.83 30.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.429 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' X' ' 19' ' ' PRO . 26.0 tttt -148.26 -41.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -91.97 70.16 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -93.88 -14.29 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.834 0.349 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -159.3 162.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 50.2 Cg_endo -70.48 36.19 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.596 2.197 . . . . 0.0 111.89 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' X' ' 2' ' ' ALA . 20.1 ttp-105 52.6 68.15 0.87 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.503 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.07 -80.19 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -45.46 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -86.17 -13.18 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.5 OUTLIER -75.58 -41.01 55.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.577 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -76.85 -19.52 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.53 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.3 -14.4 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.62 -27.11 51.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.82 -18.28 62.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 2.8 p -95.15 -24.11 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.21 -67.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.515 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 12.9 mm -77.51 57.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.604 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.505 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -129.13 -13.04 4.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.595 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -101.17 -41.96 0.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.375 -179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 67.9 Cg_endo -84.26 14.3 2.47 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.241 1.961 . . . . 0.0 112.44 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.98 29.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.443 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -149.32 143.83 26.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -101.37 -178.26 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -10.44 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.74 73.74 0.85 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.72 35.98 0.58 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.177 2.584 . . . . 0.0 112.027 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 54.11 87.44 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.06 -79.74 0.22 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -49.34 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.4 t -84.76 -1.52 56.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 5.6 t -87.99 -41.24 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.42 -21.57 59.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.9 -19.49 44.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.6 -26.53 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.59 -17.86 58.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -96.78 -24.34 15.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.96 -67.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.502 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.653 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.2 mt -77.54 56.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.606 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.454 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -128.68 -14.97 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.553 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.625 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -96.64 -42.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.247 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.4 Cg_endo -85.1 15.23 2.26 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.272 1.981 . . . . 0.0 112.144 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.711 ' O ' HG12 ' X' ' 20' ' ' VAL . 55.5 t -101.47 39.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -168.53 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -63.53 -48.76 76.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -138.4 -75.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.424 ' O ' ' O ' ' X' ' 2' ' ' ALA . 25.1 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.775 0.321 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . 56.11 162.53 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 39.0 Cg_endo -69.45 -166.14 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.577 2.185 . . . . 0.0 112.091 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -123.08 34.73 5.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.01 -79.88 0.03 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -48.44 26.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -83.86 -7.24 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -45.84 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.57 -21.83 63.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.21 -14.22 55.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.19 -27.83 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -16.61 64.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.444 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.35 -28.01 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.507 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.37 -64.86 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.401 HG23 ' HG2' ' X' ' 19' ' ' PRO . 12.1 mm -89.82 58.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.863 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' X' ' 17' ' ' ASP . 0.0 OUTLIER -110.91 -12.48 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -103.42 -40.76 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 10.2 Cg_endo -78.76 15.49 1.46 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.264 1.976 . . . . 0.0 112.682 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.64 27.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.076 0.465 . . . . 0.0 110.221 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -134.14 -33.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -97.77 -158.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 48.67 -143.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -142.56 163.14 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.456 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 50.9 Cg_endo -70.7 36.04 0.26 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.52 2.147 . . . . 0.0 111.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' X' ' 2' ' ' ALA . 12.7 mtp85 41.34 42.76 1.9 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.58 -78.58 0.02 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.44 -48.62 18.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.664 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.566 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -85.54 -41.24 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.566 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.9 pp -74.66 -20.96 59.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.33 -20.57 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.413 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.9 OUTLIER -75.2 -32.67 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.73 12.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.486 ' H ' ' C ' ' X' ' 11' ' ' LEU . 1.0 OUTLIER -138.95 -14.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.412 HG22 ' CD ' ' X' ' 19' ' ' PRO . 3.6 mm -113.49 76.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.279 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.48 32.16 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.221 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.582 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -97.42 -40.86 0.25 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.293 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 18.4 Cg_endo -78.88 5.97 5.29 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 122.075 1.85 . . . . 0.0 112.184 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.91 27.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.264 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -144.6 -14.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.493 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 68.15 42.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -103.73 -30.83 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.511 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.712 0.292 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -93.08 162.46 28.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.48 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 38.3 Cg_endo -69.37 -166.31 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.469 2.113 . . . . 0.0 112.084 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -122.24 32.9 5.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.51 -79.04 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.82 -43.55 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.638 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.1 m -89.58 -6.15 56.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.3 OUTLIER -84.43 -36.85 22.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.622 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.499 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 2.0 pp -79.03 -21.27 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.614 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.31 -24.63 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 0.0 110.223 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tp -85.11 -19.44 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.26 -67.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.51 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 26.6 p -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.362 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.471 ' C ' ' OD1' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.68 -54.73 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.324 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.39 74.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.567 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' X' ' 17' ' ' ASP . 0.2 OUTLIER -119.49 7.69 11.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.784 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.649 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -95.19 -42.82 0.28 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.615 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 72.7 Cg_endo -84.82 -11.74 7.68 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.195 1.93 . . . . 0.0 112.3 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -92.14 31.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -141.74 -60.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -156.54 145.04 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -157.56 -56.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -89.75 162.93 34.57 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.479 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 47.2 Cg_endo -70.26 35.72 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.545 2.163 . . . . 0.0 112.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' X' ' 2' ' ' ALA . 12.9 mtp85 41.22 53.43 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.43 -79.64 0.03 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.15 -46.93 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 110.568 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -85.82 -8.24 58.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.73 -43.14 23.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.89 -25.47 62.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.628 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.577 HD13 HG13 ' X' ' 16' ' ' ILE . 96.3 mt -76.08 -45.41 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.433 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.2 -18.19 65.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.15 -71.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.435 ' H ' HG23 ' X' ' 13' ' ' THR . 1.0 OUTLIER -64.35 -35.84 82.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.487 ' C ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.69 -54.23 5.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.433 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.577 HG13 HD13 ' X' ' 10' ' ' LEU . 31.7 mm -107.67 71.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.482 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' X' ' 17' ' ' ASP . 0.4 OUTLIER -121.58 7.5 10.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.543 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.6 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -94.27 -41.24 0.31 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.465 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 50.9 Cg_endo -81.6 3.79 7.53 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.033 1.822 . . . . 0.0 112.396 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.415 ' O ' HG12 ' X' ' 20' ' ' VAL . 4.7 t -146.0 37.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -52.91 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -49.43 153.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -98.5 109.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.576 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.827 0.346 . . . . 0.0 110.54 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.02 78.99 0.72 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -82.91 35.08 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.912 2.408 . . . . 0.0 112.18 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 42.72 38.54 1.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.568 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.78 -61.6 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.474 ' C ' ' H ' ' X' ' 8' ' ' CYS . 11.7 m-85 -67.66 -66.08 0.61 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 110.518 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 33.3 t -51.41 -10.56 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' X' ' 6' ' ' PHE . 0.6 OUTLIER -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.11 -8.55 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.077 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.16 -16.92 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.436 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -86.4 -21.52 27.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.3 -35.41 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.56 -48.85 78.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.468 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -104.29 74.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.154 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.45 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.3 OUTLIER -120.01 23.98 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.129 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.639 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -96.51 -41.9 0.26 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.3 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 56.1 Cg_endo -81.68 22.02 0.88 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.085 1.856 . . . . 0.0 112.198 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.493 ' O ' HG13 ' X' ' 20' ' ' VAL . 5.2 p -122.44 27.77 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.064 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -93.75 -65.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.555 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -43.06 -62.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -65.82 139.88 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.549 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.731 0.301 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.7 81.43 0.24 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' X' ' 5' ' ' GLY . 74.0 Cg_endo -82.54 35.01 0.56 Allowed 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.757 2.304 . . . . 0.0 112.286 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.3 20.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.635 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -132.91 -71.68 0.09 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -36.09 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 110.76 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m -95.55 -5.5 42.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.773 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' X' ' 5' ' ' GLY . 4.6 t -90.69 -35.26 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.47 -15.14 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.8 -15.78 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.413 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.6 OUTLIER -69.13 -39.41 78.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.568 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt -67.39 -51.54 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -51.12 -23.27 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.403 ' HG ' ' CG ' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.5 -60.78 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mt -89.42 63.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.62 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.602 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.6 OUTLIER -101.92 32.63 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.451 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.652 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -41.89 0.2 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.814 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 44.7 Cg_endo -79.05 12.52 2.25 Favored 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 121.968 1.779 . . . . 0.0 112.793 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.44 27.0 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.067 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -143.4 -25.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.28 -171.79 2.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.376 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -79.46 -37.71 36.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.607 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.645 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.663 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -171.92 169.31 2.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.663 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 50.1 Cg_exo -47.1 -175.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 122.476 2.117 . . . . 0.0 112.411 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -121.65 36.9 4.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.518 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' X' ' 8' ' ' CYS . . . -159.84 -82.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -47.31 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.555 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -87.13 -6.96 58.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' X' ' 5' ' ' GLY . 2.2 t -82.49 -38.18 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -78.15 -21.72 49.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.97 -22.11 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.25 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.596 HD23 ' O ' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.71 -36.89 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.362 179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.26 -51.18 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.406 ' OG1' ' OE1' ' X' ' 15' ' ' GLU . 17.8 p -57.73 -55.66 31.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.331 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.454 ' C ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 0.4 OUTLIER -89.69 -55.98 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.693 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.624 HG22 ' O ' ' X' ' 16' ' ' ILE . 88.5 mt -103.81 60.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.78 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' X' ' 17' ' ' ASP . 0.1 OUTLIER -99.22 -42.29 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.706 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -98.59 -40.79 0.24 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 9.1 Cg_endo -76.03 17.42 0.72 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 121.975 1.783 . . . . 0.0 111.776 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.737 HG22 ' O ' ' X' ' 20' ' ' VAL . 12.5 p -90.94 25.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.959 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -153.76 -50.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.464 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -76.24 130.48 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -102.18 -47.99 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.469 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -144.85 162.59 37.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.456 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 38.4 Cg_endo -69.63 -166.45 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.527 2.151 . . . . 0.0 112.03 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -122.56 34.43 5.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.517 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 -78.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -47.93 20.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.336 . . . . 0.0 110.556 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -85.84 -6.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.22 -44.2 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.459 ' O ' HG23 ' X' ' 13' ' ' THR . 1.9 pp -70.15 -24.37 63.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' X' ' 13' ' ' THR . 96.5 mt -77.74 -17.45 57.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.434 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.564 HD11 HG21 ' X' ' 20' ' ' VAL . 3.9 tp -74.69 -64.61 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.502 HD22 ' N ' ' X' ' 12' ' ' LEU . 3.7 mm? -49.65 -12.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.631 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.459 HG23 ' O ' ' X' ' 9' ' ' LEU . 75.0 p -97.05 -25.23 15.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.455 ' N ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.72 -53.19 33.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.502 ' O ' HD12 ' X' ' 11' ' ' LEU . 3.6 mm -105.79 74.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.42 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.6 OUTLIER -104.12 29.98 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.477 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.606 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -95.92 -42.22 0.27 Allowed Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.238 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.2 Cg_endo -84.56 16.82 1.86 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.345 2.03 . . . . 0.0 112.25 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.564 HG21 HD11 ' X' ' 11' ' ' LEU . 11.0 t -145.26 63.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -143.41 -175.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -102.05 36.05 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -145.4 21.38 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.774 0.321 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -100.62 163.01 18.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 53.7 Cg_endo -70.95 33.84 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.602 2.201 . . . . 0.0 112.064 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' X' ' 2' ' ' ALA . 4.2 ttt180 41.07 61.24 1.8 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.52 -79.54 0.03 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -66.79 -2.86 5.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.35 -50.89 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.74 -20.46 62.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.56 -33.32 70.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.342 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' X' ' 14' ' ' DSN . 4.5 tt -80.0 -22.63 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.41 8.13 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.2 p -137.65 -19.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.414 ' OG ' ' O ' ' X' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.01 -51.63 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.662 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -80.8 35.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.15 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.485 ' C ' HD23 ' X' ' 18' ' ' LEU . 3.9 m-20 -98.95 17.82 18.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.358 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.649 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -96.68 -42.75 0.26 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.533 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 74.5 Cg_endo -84.08 26.45 0.65 Allowed 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 122.232 1.954 . . . . 0.0 112.326 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.537 ' O ' HG13 ' X' ' 20' ' ' VAL . 6.8 p -143.8 32.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -148.02 -78.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -168.35 152.0 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -99.73 148.41 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.19 73.84 0.91 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.41 36.03 0.59 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 123.105 2.536 . . . . 0.0 112.1 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 62.47 36.07 14.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.48 -79.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.3 -55.57 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.701 0.286 . . . . 0.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 11.91 4.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.511 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.36 -35.74 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -81.12 -18.61 45.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.708 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.11 -15.17 58.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.324 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.34 -4.99 55.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.301 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.857 ' O ' HD12 ' X' ' 12' ' ' LEU . 0.1 OUTLIER -103.26 -37.61 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.106 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 29.3 p -72.54 -12.67 61.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.735 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -70.08 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.716 HG22 ' O ' ' X' ' 16' ' ' ILE . 89.4 mt -76.77 50.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.493 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.42 ' C ' HD23 ' X' ' 18' ' ' LEU . 2.8 t70 -100.2 24.55 8.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.582 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -96.22 -41.97 0.27 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.304 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.7 Cg_endo -85.46 -49.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.322 2.015 . . . . 0.0 112.268 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.45 38.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.601 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' X' ' 19' ' ' PRO . 73.4 tttt -91.68 -80.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.421 ' CG ' ' H ' ' X' ' 23' ' ' ARG . 5.4 tpp180 63.69 -143.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.587 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.421 ' H ' ' CG ' ' X' ' 22' ' ' ARG . 21.7 mtt180 -85.39 -114.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.575 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.1 mtp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.805 0.336 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.727 ' HB1' ' CB ' ' X' ' 7' ' ' SER . . . -139.17 97.38 8.66 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' X' ' 2' ' ' ALA . 31.3 Cg_exo -55.76 -147.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.983 1.789 . . . . 0.0 111.849 179.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 15.3 mtp85 -120.13 44.8 2.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.478 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.04 -86.84 0.06 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -44.84 -48.66 11.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.727 ' CB ' ' HB1' ' X' ' 2' ' ' ALA . 14.3 t -82.21 -15.43 53.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 t -74.33 -48.62 27.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.38 -16.91 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' X' ' 13' ' ' THR . 91.8 mt -89.97 -34.1 16.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.004 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' X' ' 13' ' ' THR . 3.7 tt -78.55 -49.78 12.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.503 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -44.81 -21.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' X' ' 10' ' ' LEU . 39.5 p -89.8 -48.11 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.404 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.94 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.241 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.47 ' O ' HG21 ' X' ' 20' ' ' VAL . 8.5 mm -74.15 53.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.549 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.556 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.3 OUTLIER -126.33 -1.61 6.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.647 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -100.51 -42.18 0.22 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.571 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 63.7 Cg_endo -83.28 -7.39 10.94 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.118 1.879 . . . . 0.0 112.333 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.47 HG21 ' O ' ' X' ' 16' ' ' ILE . 2.5 m -104.54 29.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.034 0.445 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -159.06 -33.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -68.16 114.18 6.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.55 -71.78 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.428 ' O ' ' O ' ' X' ' 2' ' ' ALA . 16.4 mtp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.759 ' HB1' ' OG ' ' X' ' 7' ' ' SER . . . 44.52 96.42 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.487 ' C ' ' H ' ' X' ' 5' ' ' GLY . 61.9 Cg_endo -80.55 168.12 18.33 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 121.655 1.57 . . . . 0.0 111.492 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -70.73 41.27 0.06 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.346 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' X' ' 3' ' ' PRO . . . -142.96 -79.68 0.05 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -39.58 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.759 ' OG ' ' HB1' ' X' ' 2' ' ' ALA . 0.8 OUTLIER -85.37 -29.81 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -47.69 82.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.06 -29.41 69.75 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.684 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.692 HD13 ' CG1' ' X' ' 16' ' ' ILE . 97.7 mt -74.9 -44.1 50.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.316 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 1.073 HD11 HG21 ' X' ' 20' ' ' VAL . 1.1 mp -68.61 -39.58 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.587 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.53 -28.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -105.74 -55.24 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.461 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.428 ' CB ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.59 -65.94 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.692 ' CG1' HD13 ' X' ' 10' ' ' LEU . 19.1 mm -99.15 69.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.813 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.456 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -107.22 24.37 12.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.652 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.1 OUTLIER -95.48 -42.64 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.509 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 63.9 Cg_endo -83.07 -39.26 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.209 1.939 . . . . 0.0 112.435 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 1.073 HG21 HD11 ' X' ' 11' ' ' LEU . 24.2 m -73.59 36.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.566 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' X' ' 19' ' ' PRO . 7.1 pttp -76.19 -43.43 42.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.452 ' N ' ' CG ' ' X' ' 21' ' ' LYS . 14.3 mtp180 -99.4 176.01 5.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -91.62 132.46 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.519 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . 56.7 162.71 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 48.2 Cg_endo -70.3 35.94 0.25 Allowed 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.542 2.162 . . . . 0.0 111.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' X' ' 2' ' ' ALA . 21.4 mmm-85 41.48 39.25 1.02 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.589 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.81 -74.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -47.22 33.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -85.05 -6.34 59.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -43.15 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.501 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.58 -23.44 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.58 -34.13 35.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.315 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.5 OUTLIER -66.9 -36.65 82.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.541 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.22 18.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.457 ' H ' ' C ' ' X' ' 11' ' ' LEU . 43.7 p -142.71 -15.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.635 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.514 ' O ' HD21 ' X' ' 18' ' ' LEU . 3.4 mm-40 -113.97 -46.09 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.587 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.2 tt -79.98 35.04 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.205 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' X' ' 15' ' ' GLU . 0.2 OUTLIER -99.03 29.09 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.34 -179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.557 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.2 OUTLIER -98.17 -41.62 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.538 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 58.7 Cg_endo -82.54 26.16 0.65 Allowed 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.24 1.96 . . . . 0.0 112.308 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.714 HG22 ' O ' ' X' ' 20' ' ' VAL . 12.7 p -107.54 29.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.072 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' X' ' 22' ' ' ARG . 16.1 tttt -143.69 -101.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' X' ' 21' ' ' LYS . 28.9 ttt180 -161.97 155.5 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.43 ' HE ' ' C ' ' X' ' 22' ' ' ARG . 0.0 OUTLIER -90.26 -58.35 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.91 73.45 4.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -83.67 35.96 0.58 Allowed 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 123.138 2.559 . . . . 0.0 112.11 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 61.82 42.9 9.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.628 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 -86.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.52 -59.15 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.516 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m -78.23 11.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -102.79 -42.2 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.08 -21.19 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.9 mt -75.64 -43.15 49.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.395 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' X' ' 13' ' ' THR . 0.8 OUTLIER -70.54 -32.96 70.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.68 9.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . 0.445 ' H ' ' C ' ' X' ' 11' ' ' LEU . 65.9 p -140.55 -12.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.497 ' O ' HD21 ' X' ' 18' ' ' LEU . 5.2 mm-40 -112.43 -44.78 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -79.99 37.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.149 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.426 ' C ' HD23 ' X' ' 18' ' ' LEU . 0.5 OUTLIER -97.08 30.81 2.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.695 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.635 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -94.56 -42.7 0.29 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.446 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 73.7 Cg_endo -84.7 -27.49 1.29 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.332 2.021 . . . . 0.0 112.212 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.494 ' O ' HG12 ' X' ' 20' ' ' VAL . 21.0 t -101.45 50.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -87.85 -60.26 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -129.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 47.82 -154.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.498 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.52 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.767 0.317 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' X' ' 3' ' ' PRO . . . -98.34 162.62 21.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' X' ' 2' ' ' ALA . 39.3 Cg_endo -69.57 -166.83 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.533 2.155 . . . . 0.0 112.085 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -121.68 34.49 5.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.536 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.58 -79.17 0.02 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -42.74 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -89.25 -8.69 52.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -38.82 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -77.53 -21.58 52.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -82.75 -22.94 34.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.44 -19.85 38.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.22 -24.3 57.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.0 -29.44 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.421 ' OG ' ' OD1' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.416 ' O ' HD21 ' X' ' 18' ' ' LEU . 7.5 mm-40 -113.6 -36.76 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.686 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' X' ' 16' ' ' ILE . 1.1 tt -84.58 35.58 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.442 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.626 ' C ' HD23 ' X' ' 18' ' ' LEU . 57.5 m-20 -90.99 48.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.034 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.628 ' N ' HD23 ' X' ' 18' ' ' LEU . 0.2 OUTLIER -105.84 -41.28 0.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.717 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.558 ' CD ' ' H ' ' X' ' 18' ' ' LEU . 49.9 Cg_endo -81.62 25.84 0.64 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.134 1.89 . . . . 0.0 112.043 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.737 HG22 ' O ' ' X' ' 20' ' ' VAL . 11.6 p -123.16 30.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.051 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.3 -25.89 1.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.471 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -73.05 98.45 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -70.03 -58.42 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.801 0.334 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' X' ' 3' ' ' PRO . . . -161.77 98.45 1.22 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . 0.476 ' O ' ' O ' ' X' ' 2' ' ' ALA . 31.7 Cg_exo -55.37 -146.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.001 1.801 . . . . 0.0 111.917 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 49.64 14.69 0.12 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.52 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' X' ' 3' ' ' PRO . . . -171.26 -67.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -59.87 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.547 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -77.06 12.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' X' ' 9' ' ' LEU . 0.1 OUTLIER -103.49 -42.22 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.574 ' N ' ' SG ' ' X' ' 8' ' ' CYS . 1.7 pp -75.56 -15.95 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.585 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.16 -18.76 38.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -39.34 60.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.49 -55.86 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -50.49 -50.32 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 14' ' ' DSN . . . . . 0.431 ' OG ' ' OD2' ' X' ' 17' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -69.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 16' ' ' ILE . . . . . 0.546 HG22 ' HB ' ' X' ' 20' ' ' VAL . 21.8 mt -87.86 66.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.889 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 17' ' ' ASP . . . . . 0.431 ' OD2' ' OG ' ' X' ' 14' ' ' DSN . 13.8 t0 -99.35 -42.23 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.7 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 18' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' X' ' 19' ' ' PRO . 0.3 OUTLIER -98.37 -40.86 0.24 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.148 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' X' ' 18' ' ' LEU . 10.2 Cg_endo -77.22 15.4 1.18 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.047 1.831 . . . . 0.0 111.879 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 20' ' ' VAL . . . . . 0.743 HG22 ' O ' ' X' ' 20' ' ' VAL . 11.5 p -88.48 27.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.946 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 21' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -144.12 -46.85 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.574 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.61 133.2 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.5 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 23' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' X' ' 24' ' ' ALA . 5.7 ptm180 -86.77 35.43 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' X' ' 23' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 stop_ save_